J094-0640 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0640 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0640 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0640
1-(1H-1,3-benzodiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-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

J094-0640

Molecular Formula

C23H19N5OS (C23 H19 N5 OS)

Compound Name

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

IUPAC name

1-(1H-13-benzodiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2c(C)sc3c2cccc3)c2NC1=O)nn2-c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C23H19N5OS/c1-12-20-15(21-13(2)30-18-10-6-3-7-14(18)21)11-19(29)26-22(20)28(27-12)23-24-16-8-4-5-9-17(16)25-23/h3-10,15H,11H2,1-2H3,(H,24,25)(H,26,29)/t15-/m0/s1

InChI Key

MUUMFBSWHPNAFW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27224862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-4.25

Polar Surface Area

58.056

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

J094-0640 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J094-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0640?
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What is the minimum amount of J094-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0640
  • 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 J094-0640 available by request