J013-1778 Screening compound: 4-(3,4-dimethylbenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1778 Screening compound: 4-(3,4-dimethylbenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1778 Screening compound: 4-(3,4-dimethylbenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1778
4-(3,4-dimethylbenzoyl)-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

J013-1778

Molecular Formula

C16H17N3O2 (C16 H17 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c(NC(C2)=O)c1C2C(c1cc(C)c(C)cc1)=O

InChI

InChI=1S/C16H17N3O2/c1-8-4-5-11(6-9(8)2)15(21)12-7-13(20)17-16-14(12)10(3)18-19-16/h4-6,12H,7H2,1-3H3,(H2,17,18,19,20)/t12-/m0/s1

InChI Key

DBEJFAHNGUFCRP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27217262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.83

Polar Surface Area

62.440

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with J013-1778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1778?
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What is the minimum amount of J013-1778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1778
  • 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 J013-1778 available by request