C798-1507 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

C798-1507 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
C798-1507 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1507
N-{2-[benzyl(ethyl)amino]ethyl}-5-[(3-fluorophenyl)methyl]-7-methyl-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

C798-1507

Molecular Formula

C29H29FN6O2 (C29 H29 FN6 O2)

Compound Name

N-{2-[benzyl(ethyl)amino]ethyl}-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-4H,5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

IUPAC name

N-{2-[benzyl(ethyl)amino]ethyl}-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-4H5H-[124]triazolo[15-a]quinoxaline-2-carboxamide

SMILES

CCN(CCNC(c(nc12)nn1-c(ccc(C)c1)c1N(Cc1cccc(F)c1)C2=O)=O)Cc1ccccc1

InChI

InChI=1S/C29H29FN6O2/c1-3-34(18-21-8-5-4-6-9-21)15-14-31-28(37)26-32-27-29(38)35(19-22-10-7-11-23(30)17-22)25-16-20(2)12-13-24(25)36(27)33-26/h4-13,16-17H,3,14-15,18-19H2,1-2H3,(H,31,37)

InChI Key

SRLAHHMBAXAEPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-4.11

Polar Surface Area

66.564

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C798-1507 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C798-1507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1507?
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What is the minimum amount of C798-1507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1507
  • 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 C798-1507 available by request