J013-1456 Screening compound: 4-(4-cyclohexylbenzoyl)-1-(3-ethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1456 Screening compound: 4-(4-cyclohexylbenzoyl)-1-(3-ethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1456 Screening compound: 4-(4-cyclohexylbenzoyl)-1-(3-ethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1456
4-(4-cyclohexylbenzoyl)-1-(3-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

J013-1456

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

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

IUPAC name

4-(4-cyclohexylbenzoyl)-1-(3-ethylphenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCc1cccc(-n2nc(C)c(C(C3)C(c4ccc(C5CCCCC5)cc4)=O)c2NC3=O)c1

InChI

InChI=1S/C28H31N3O2/c1-3-19-8-7-11-23(16-19)31-28-26(18(2)30-31)24(17-25(32)29-28)27(33)22-14-12-21(13-15-22)20-9-5-4-6-10-20/h7-8,11-16,20,24H,3-6,9-10,17H2,1-2H3,(H,29,32)/t24-/m0/s1

InChI Key

KSLKGDSOPJWCQU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27217173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.902

Distribution Coefficient, logD

5.897

Water Solubility, LogSw

-5.38

Polar Surface Area

52.750

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

J013-1456 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with J013-1456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1456?
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What is the minimum amount of J013-1456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1456
  • 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 J013-1456 available by request