C171-0207 Screening compound: 5-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

C171-0207 Screening compound: 5-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
C171-0207 Screening compound: 5-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C171-0207
5-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)-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

C171-0207

Molecular Formula

C26H21Cl2N3O4 (C26 H21 Cl2 N3 O4)

Compound Name

5-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

IUPAC name

5-(24-dichlorophenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[34-c]pyrazole-46-dione

SMILES

Cc(cc1)ccc1C(N(C(C1C(N2c(ccc(Cl)c3)c3Cl)=O)C2=O)NC1c(cccc1)c1OC)=O

InChI

InChI=1S/C26H21Cl2N3O4/c1-14-7-9-15(10-8-14)24(32)31-23-21(22(29-31)17-5-3-4-6-20(17)35-2)25(33)30(26(23)34)19-12-11-16(27)13-18(19)28/h3-13,21-23,29H,1-2H3

InChI Key

VBJAPNRUVRFFGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-4.59

Polar Surface Area

65.510

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

19.20

C171-0207 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C171-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C171-0207?
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What is the minimum amount of C171-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C171-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C171-0207
  • 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 C171-0207 available by request