D361-0957 Screening compound: 4-(3,5-difluorophenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0957 Screening compound: 4-(3,5-difluorophenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0957 Screening compound: 4-(3,5-difluorophenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0957
4-(3,5-difluorophenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

D361-0957

Molecular Formula

C22H16F2N6O (C22 H16 F2 N6 O)

Compound Name

4-(3,5-difluorophenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(35-difluorophenyl)-3-methyl-1-(5-phenyl-124-triazin-3-yl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2cc(F)cc(F)c2)c2NC1=O)nn2-c1nncc(-c2ccccc2)n1

InChI

InChI=1S/C22H16F2N6O/c1-12-20-17(14-7-15(23)9-16(24)8-14)10-19(31)27-21(20)30(29-12)22-26-18(11-25-28-22)13-5-3-2-4-6-13/h2-9,11,17H,10H2,1H3,(H,27,31)/t17-/m1/s1

InChI Key

SPEYVKMMELMCGC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14824812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.70

Polar Surface Area

70.375

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D361-0957 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D361-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0957?
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What is the minimum amount of D361-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0957
  • 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 D361-0957 available by request