C202-0180 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

C202-0180 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
C202-0180 Screening compound: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0180
5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

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

C202-0180

Molecular Formula

C24H25ClN2O5 (C24 H25 ClN2 O5)

Compound Name

5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(2-methylpropyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

5-(2-chlorophenyl)-3-(4-methoxyphenyl)-1-(2-methylpropyl)-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CC(C)CC(C(C1C(N2c(cccc3)c3Cl)=O)C2=O)(C(O)=O)NC1c(cc1)ccc1OC

InChI

InChI=1S/C24H25ClN2O5/c1-13(2)12-24(23(30)31)19-18(20(26-24)14-8-10-15(32-3)11-9-14)21(28)27(22(19)29)17-7-5-4-6-16(17)25/h4-11,13,18-20,26H,12H2,1-3H3,(H,30,31)

InChI Key

JEMNIYZKJAQWAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

0.902

Water Solubility, LogSw

-3.54

Polar Surface Area

78.074

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

C202-0180 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 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
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C202-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0180?
Check Price and Availability of C202-0180, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C202-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0180
  • 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 C202-0180 available by request