J013-1140 Screening compound: 1-(2,4-dimethylphenyl)-4-(3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1140 Screening compound: 1-(2,4-dimethylphenyl)-4-(3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1140 Screening compound: 1-(2,4-dimethylphenyl)-4-(3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1140
1-(2,4-dimethylphenyl)-4-(3-methoxybenzoyl)-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

J013-1140

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

1-(2,4-dimethylphenyl)-4-(3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(24-dimethylphenyl)-4-(3-methoxybenzoyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)C(c2cc(OC)ccc2)=O)c2NC1=O)nn2-c1c(C)cc(C)cc1

InChI

InChI=1S/C23H23N3O3/c1-13-8-9-19(14(2)10-13)26-23-21(15(3)25-26)18(12-20(27)24-23)22(28)16-6-5-7-17(11-16)29-4/h5-11,18H,12H2,1-4H3,(H,24,27)/t18-/m0/s1

InChI Key

ZGIXNVYNTRKQEF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27217058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.24

Polar Surface Area

60.073

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

J013-1140 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J013-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1140?
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What is the minimum amount of J013-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1140
  • 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 J013-1140 available by request