J013-1776 Screening compound: 4-(2,6-dimethoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1776 Screening compound: 4-(2,6-dimethoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1776 Screening compound: 4-(2,6-dimethoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1776
4-(2,6-dimethoxybenzoyl)-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

J013-1776

Molecular Formula

C16H17N3O4 (C16 H17 N3 O4)

Compound Name

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

IUPAC name

4-(26-dimethoxybenzoyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc1n[nH]c(NC(C2)=O)c1C2C(c(c(OC)ccc1)c1OC)=O

InChI

InChI=1S/C16H17N3O4/c1-8-13-9(7-12(20)17-16(13)19-18-8)15(21)14-10(22-2)5-4-6-11(14)23-3/h4-6,9H,7H2,1-3H3,(H2,17,18,19,20)/t9-/m0/s1

InChI Key

YTQMHWXSLWCJOQ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD27217260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.370

Distribution Coefficient, logD

0.364

Water Solubility, LogSw

-1.82

Polar Surface Area

77.701

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

J013-1776 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J013-1776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1776?
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What is the minimum amount of J013-1776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1776
  • 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 J013-1776 available by request