5408-0123 Screening compound: 1,5-dimethyl-2-phenyl-4-[(6-{[3-(trifluoromethyl)phenyl]amino}-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)amino]-2,3-dihydro-1H-pyrazol-3-one

5408-0123 Screening compound: 1,5-dimethyl-2-phenyl-4-[(6-{[3-(trifluoromethyl)phenyl]amino}-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)amino]-2,3-dihydro-1H-pyrazol-3-one
5408-0123 Screening compound: 1,5-dimethyl-2-phenyl-4-[(6-{[3-(trifluoromethyl)phenyl]amino}-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)amino]-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0123
1,5-dimethyl-2-phenyl-4-[(6-{[3-(trifluoromethyl)phenyl]amino}-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)amino]-2,3-dihydro-1H-pyrazol-3-one

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

5408-0123

Molecular Formula

C22H17F3N8O2 (C22 H17 F3 N8 O2)

Compound Name

1,5-dimethyl-2-phenyl-4-[(6-{[3-(trifluoromethyl)phenyl]amino}-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)amino]-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

15-dimethyl-2-phenyl-4-[(6-{[3-(trifluoromethyl)phenyl]amino}-[125]oxadiazolo[34-b]pyrazin-5-yl)amino]-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1Nc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C22H17F3N8O2/c1-12-16(21(34)33(32(12)2)15-9-4-3-5-10-15)27-18-17(28-19-20(29-18)31-35-30-19)26-14-8-6-7-13(11-14)22(23,24)25/h3-11H,1-2H3,(H,26,28,30)(H,27,29,31)

InChI Key

GDQJIQPFJYTXTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-4.37

Polar Surface Area

94.927

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5408-0123 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5408-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0123?
Check Price and Availability of 5408-0123, 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 5408-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0123
  • 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 5408-0123 available by request