7999-0539 Screening compound: 3-(4-chlorophenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

7999-0539 Screening compound: 3-(4-chlorophenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
7999-0539 Screening compound: 3-(4-chlorophenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7999-0539
3-(4-chlorophenyl)-4-[4-(methylsulfanyl)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

7999-0539

Molecular Formula

C19H16ClN3OS (C19 H16 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(C(C2)c(c(-c(cc3)ccc3Cl)n[nH]3)c3NC2=O)cc1

InChI

InChI=1S/C19H16ClN3OS/c1-25-14-8-4-11(5-9-14)15-10-16(24)21-19-17(15)18(22-23-19)12-2-6-13(20)7-3-12/h2-9,15H,10H2,1H3,(H2,21,22,23,24)/t15-/m1/s1

InChI Key

ONQGMGVEZGMLMU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09039381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.78

Polar Surface Area

48.624

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

7999-0539 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Others
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7999-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7999-0539?
Check Price and Availability of 7999-0539, 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 7999-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7999-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7999-0539
  • 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 7999-0539 available by request