J094-0876 Screening compound: 3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-methyl-1-benzothiophen-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0876 Screening compound: 3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-methyl-1-benzothiophen-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0876 Screening compound: 3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-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 J094-0876
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-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

J094-0876

Molecular Formula

C24H20N4OS2 (C24 H20 N4 OS2)

Compound Name

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

IUPAC name

3-methyl-1-(6-methyl-13-benzothiazol-2-yl)-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(ccc(C)c2)c2s1

InChI

InChI=1S/C24H20N4OS2/c1-12-8-9-17-19(10-12)31-24(25-17)28-23-21(13(2)27-28)16(11-20(29)26-23)22-14(3)30-18-7-5-4-6-15(18)22/h4-10,16H,11H2,1-3H3,(H,26,29)/t16-/m1/s1

InChI Key

IPFGETVFXXQGOU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15080795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.815

Distribution Coefficient, logD

5.810

Water Solubility, LogSw

-5.70

Polar Surface Area

49.373

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

J094-0876 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J094-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0876?
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What is the minimum amount of J094-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0876
  • 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 J094-0876 available by request