7999-0599 Screening compound: 3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

7999-0599 Screening compound: 3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
7999-0599 Screening compound: 3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7999-0599
3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-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

7999-0599

Molecular Formula

C24H17ClFN3O (C24 H17 ClFN3 O)

Compound Name

3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

3-(4-chlorophenyl)-4-(2-fluorophenyl)-1-phenyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

O=C(CC1c(cccc2)c2F)Nc2c1c(-c(cc1)ccc1Cl)nn2-c1ccccc1

InChI

InChI=1S/C24H17ClFN3O/c25-16-12-10-15(11-13-16)23-22-19(18-8-4-5-9-20(18)26)14-21(30)27-24(22)29(28-23)17-6-2-1-3-7-17/h1-13,19H,14H2,(H,27,30)/t19-/m1/s1

InChI Key

GKUNKVXRRHNGFO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD09654089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.90

Polar Surface Area

39.013

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

7999-0599 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7999-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7999-0599?
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What is the minimum amount of 7999-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7999-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7999-0599
  • 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 7999-0599 available by request