J013-1681 Screening compound: 4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1681 Screening compound: 4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1681 Screening compound: 4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1681
4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-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

J013-1681

Molecular Formula

C18H13ClFN3O2S (C18 H13 ClFN3 O2 S)

Compound Name

4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)C(c(s2)ccc2Cl)=O)c2NC1=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C18H13ClFN3O2S/c1-9-16-12(17(25)13-6-7-14(19)26-13)8-15(24)21-18(16)23(22-9)11-4-2-10(20)3-5-11/h2-7,12H,8H2,1H3,(H,21,24)/t12-/m1/s1

InChI Key

DCFAAAIMWZBACH-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27217221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-3.70

Polar Surface Area

53.848

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

J013-1681 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 J013-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1681?
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What is the minimum amount of J013-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1681
  • 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 J013-1681 available by request