J013-1710 Screening compound: 4-(4-fluoro-3-methoxybenzoyl)-1-(4-methoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1710 Screening compound: 4-(4-fluoro-3-methoxybenzoyl)-1-(4-methoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1710 Screening compound: 4-(4-fluoro-3-methoxybenzoyl)-1-(4-methoxyphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1710
4-(4-fluoro-3-methoxybenzoyl)-1-(4-methoxyphenyl)-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

J013-1710

Molecular Formula

C22H20FN3O4 (C22 H20 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)C(c(cc2)cc(OC)c2F)=O)c2NC1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C22H20FN3O4/c1-12-20-16(21(28)13-4-9-17(23)18(10-13)30-3)11-19(27)24-22(20)26(25-12)14-5-7-15(29-2)8-6-14/h4-10,16H,11H2,1-3H3,(H,24,27)/t16-/m1/s1

InChI Key

NBYXVOYXDOLMAH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27217246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-3.49

Polar Surface Area

68.004

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J013-1710 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J013-1710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1710?
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What is the minimum amount of J013-1710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1710
  • 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 J013-1710 available by request