J094-0225 Screening compound: 3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-(3-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0225 Screening compound: 3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-(3-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0225 Screening compound: 3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-(3-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0225
3-methyl-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-4-(3-nitrophenyl)-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

J094-0225

Molecular Formula

C21H18N6O3 (C21 H18 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)c2cccc([N+]([O-])=O)c2)c2NC1=O)nn2-c1nc(cccc2)c2n1C

InChI

InChI=1S/C21H18N6O3/c1-12-19-15(13-6-5-7-14(10-13)27(29)30)11-18(28)23-20(19)26(24-12)21-22-16-8-3-4-9-17(16)25(21)2/h3-10,15H,11H2,1-2H3,(H,23,28)/t15-/m1/s1

InChI Key

GQWZHVGAYWKNLS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD15080736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

0.252

Water Solubility, LogSw

-3.34

Polar Surface Area

83.024

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

J094-0225 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J094-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0225?
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What is the minimum amount of J094-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0225
  • 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 J094-0225 available by request