C171-0306 Screening compound: 1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2-fluorophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

C171-0306 Screening compound: 1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2-fluorophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
C171-0306 Screening compound: 1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2-fluorophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C171-0306
1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2-fluorophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

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

C171-0306

Molecular Formula

C24H16BrClFN3O3 (C24 H16 BrClFN3 O3)

Compound Name

1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2-fluorophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

IUPAC name

1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2-fluorophenyl)-octahydropyrrolo[34-c]pyrazole-46-dione

SMILES

O=C(c1cccc(Br)c1)N(C(C1C(N2c(cccc3)c3Cl)=O)C2=O)NC1c(cccc1)c1F

InChI

InChI=1S/C24H16BrClFN3O3/c25-14-7-5-6-13(12-14)22(31)30-21-19(20(28-30)15-8-1-3-10-17(15)27)23(32)29(24(21)33)18-11-4-2-9-16(18)26/h1-12,19-21,28H

InChI Key

AXAXRNDBDQAWDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.48

Polar Surface Area

57.879

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

12.50

C171-0306 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C171-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C171-0306?
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What is the minimum amount of C171-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C171-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C171-0306
  • 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 C171-0306 available by request