C171-0278 Screening compound: 1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

C171-0278 Screening compound: 1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
C171-0278 Screening compound: 1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C171-0278
1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(4-methylphenyl)-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

C171-0278

Molecular Formula

C25H19BrClN3O3 (C25 H19 BrClN3 O3)

Compound Name

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

IUPAC name

1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(4-methylphenyl)-octahydropyrrolo[34-c]pyrazole-46-dione

SMILES

Cc1ccc(C(C(C2C(N3c(cccc4)c4Cl)=O)C3=O)NN2C(c2cccc(Br)c2)=O)cc1

InChI

InChI=1S/C25H19BrClN3O3/c1-14-9-11-15(12-10-14)21-20-22(30(28-21)23(31)16-5-4-6-17(26)13-16)25(33)29(24(20)32)19-8-3-2-7-18(19)27/h2-13,20-22,28H,1H3

InChI Key

URCPKWWDDFCQLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.8

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

4.265

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.64

Polar Surface Area

57.879

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

16.00

C171-0278 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C171-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C171-0278?
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What is the minimum amount of C171-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C171-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C171-0278
  • 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 C171-0278 available by request