C202-0950 Screening compound: 1-benzyl-5-(4-fluorophenyl)-4,6-dioxo-3-(2,3,4-trimethoxyphenyl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

C202-0950 Screening compound: 1-benzyl-5-(4-fluorophenyl)-4,6-dioxo-3-(2,3,4-trimethoxyphenyl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
C202-0950 Screening compound: 1-benzyl-5-(4-fluorophenyl)-4,6-dioxo-3-(2,3,4-trimethoxyphenyl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0950
1-benzyl-5-(4-fluorophenyl)-4,6-dioxo-3-(2,3,4-trimethoxyphenyl)-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

C202-0950

Molecular Formula

C29H27FN2O7 (C29 H27 FN2 O7)

Compound Name

1-benzyl-5-(4-fluorophenyl)-4,6-dioxo-3-(2,3,4-trimethoxyphenyl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

1-benzyl-5-(4-fluorophenyl)-46-dioxo-3-(234-trimethoxyphenyl)-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

COc(ccc(C(C(C1C(N2c(cc3)ccc3F)=O)C2=O)NC1(Cc1ccccc1)C(O)=O)c1OC)c1OC

InChI

InChI=1S/C29H27FN2O7/c1-37-20-14-13-19(24(38-2)25(20)39-3)23-21-22(27(34)32(26(21)33)18-11-9-17(30)10-12-18)29(31-23,28(35)36)15-16-7-5-4-6-8-16/h4-14,21-23,31H,15H2,1-3H3,(H,35,36)

InChI Key

HXJVOVUNGVMDGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

0.553

Water Solubility, LogSw

-3.39

Polar Surface Area

93.624

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

27.60

C202-0950 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

KRAS-Targeted Library (16000 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C202-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0950?
Check Price and Availability of C202-0950, 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 C202-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0950
  • 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 C202-0950 available by request