J094-0648 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-(2,3-dichlorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0648 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-(2,3-dichlorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0648 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-4-(2,3-dichlorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0648
1-(1H-1,3-benzodiazol-2-yl)-4-(2,3-dichlorophenyl)-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

J094-0648

Molecular Formula

C20H15Cl2N5O (C20 H15 Cl2 N5 O)

Compound Name

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

IUPAC name

1-(1H-13-benzodiazol-2-yl)-4-(23-dichlorophenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2cccc(Cl)c2Cl)c2NC1=O)nn2-c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C20H15Cl2N5O/c1-10-17-12(11-5-4-6-13(21)18(11)22)9-16(28)25-19(17)27(26-10)20-23-14-7-2-3-8-15(14)24-20/h2-8,12H,9H2,1H3,(H,23,24)(H,25,28)/t12-/m1/s1

InChI Key

PREKEMHJKJNMGO-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD15080782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-4.26

Polar Surface Area

57.309

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J094-0648 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Proteases

References: we are preparing a list of scientific research reports with J094-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0648?
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What is the minimum amount of J094-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0648
  • 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 J094-0648 available by request