J013-1663 Screening compound: 4-(5-chlorothiophene-2-carbonyl)-1-(4-ethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1663 Screening compound: 4-(5-chlorothiophene-2-carbonyl)-1-(4-ethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1663 Screening compound: 4-(5-chlorothiophene-2-carbonyl)-1-(4-ethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1663
4-(5-chlorothiophene-2-carbonyl)-1-(4-ethylphenyl)-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

J013-1663

Molecular Formula

C20H18ClN3O2S (C20 H18 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-n1nc(C)c(C(C2)C(c(s3)ccc3Cl)=O)c1NC2=O

InChI

InChI=1S/C20H18ClN3O2S/c1-3-12-4-6-13(7-5-12)24-20-18(11(2)23-24)14(10-17(25)22-20)19(26)15-8-9-16(21)27-15/h4-9,14H,3,10H2,1-2H3,(H,22,25)/t14-/m1/s1

InChI Key

FKCLWTKIVVPABB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27217207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.38

Polar Surface Area

53.848

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

J013-1663 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J013-1663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1663?
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What is the minimum amount of J013-1663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1663
  • 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 J013-1663 available by request