J013-0920 Screening compound: 1-(3,5-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-0920 Screening compound: 1-(3,5-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-0920 Screening compound: 1-(3,5-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-0920
1-(3,5-dimethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-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

J013-0920

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1C(C(CC(N1)=O)c2c1n(-c1cc(C)cc(C)c1)nc2C)=O

InChI

InChI=1S/C25H27N3O3/c1-5-10-31-20-8-6-18(7-9-20)24(30)21-14-22(29)26-25-23(21)17(4)27-28(25)19-12-15(2)11-16(3)13-19/h6-9,11-13,21H,5,10,14H2,1-4H3,(H,26,29)/t21-/m0/s1

InChI Key

FGRCWVWEGWZWRH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27217002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.622

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.30

Polar Surface Area

60.248

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with J013-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-0920?
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What is the minimum amount of J013-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-0920
  • 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 J013-0920 available by request