J013-1708 Screening compound: 4-(1-benzofuran-2-carbonyl)-1-(3,5-dimethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1708 Screening compound: 4-(1-benzofuran-2-carbonyl)-1-(3,5-dimethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1708 Screening compound: 4-(1-benzofuran-2-carbonyl)-1-(3,5-dimethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1708
4-(1-benzofuran-2-carbonyl)-1-(3,5-dimethylphenyl)-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

J013-1708

Molecular Formula

C24H21N3O3 (C24 H21 N3 O3)

Compound Name

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

IUPAC name

4-(1-benzofuran-2-carbonyl)-1-(35-dimethylphenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)C(c2cc(cccc3)c3o2)=O)c2NC1=O)nn2-c1cc(C)cc(C)c1

InChI

InChI=1S/C24H21N3O3/c1-13-8-14(2)10-17(9-13)27-24-22(15(3)26-27)18(12-21(28)25-24)23(29)20-11-16-6-4-5-7-19(16)30-20/h4-11,18H,12H2,1-3H3,(H,25,28)/t18-/m0/s1

InChI Key

FTMHVZRGGBONOA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27217244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.66

Polar Surface Area

61.123

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with J013-1708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1708?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1708
  • 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 J013-1708 available by request