C798-1512 Screening compound: 5-[(3-fluorophenyl)methyl]-7-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

C798-1512 Screening compound: 5-[(3-fluorophenyl)methyl]-7-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
C798-1512 Screening compound: 5-[(3-fluorophenyl)methyl]-7-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1512
5-[(3-fluorophenyl)methyl]-7-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C798-1512

Molecular Formula

C28H25FN6O3 (C28 H25 FN6 O3)

Compound Name

5-[(3-fluorophenyl)methyl]-7-methyl-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

IUPAC name

n/a

SMILES

Cc(cc1)cc(N2Cc3cccc(F)c3)c1-n1nc(C(Nc(cc3)ccc3N3CCOCC3)=O)nc1C2=O

InChI

InChI=1S/C28H25FN6O3/c1-18-5-10-23-24(15-18)34(17-19-3-2-4-20(29)16-19)28(37)26-31-25(32-35(23)26)27(36)30-21-6-8-22(9-7-21)33-11-13-38-14-12-33/h2-10,15-16H,11-14,17H2,1H3,(H,30,36)

InChI Key

UREXCYIPNAFXIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.28

Polar Surface Area

73.075

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C798-1512 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C798-1512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1512?
Check Price and Availability of C798-1512, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C798-1512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1512
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C798-1512 available by request