C200-1141 Screening compound: 5-(4-fluorophenyl)-4,6-dioxo-3-(2,3,4-trimethoxyphenyl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

C200-1141 Screening compound: 5-(4-fluorophenyl)-4,6-dioxo-3-(2,3,4-trimethoxyphenyl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
C200-1141 Screening compound: 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 C200-1141
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

C200-1141

Molecular Formula

C22H21FN2O7 (C22 H21 FN2 O7)

Compound Name

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

IUPAC name

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)NC1C(O)=O)c1OC)c1OC

InChI

InChI=1S/C22H21FN2O7/c1-30-13-9-8-12(18(31-2)19(13)32-3)16-14-15(17(24-16)22(28)29)21(27)25(20(14)26)11-6-4-10(23)5-7-11/h4-9,14-17,24H,1-3H3,(H,28,29)

InChI Key

DJUHLCLAQVXCJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.264

Distribution Coefficient, logD

-2.321

Water Solubility, LogSw

-1.76

Polar Surface Area

93.499

Acid Dissociation Constant (pKa)

2.95

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.80

C200-1141 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C200-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1141?
Check Price and Availability of C200-1141, 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 C200-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1141
  • 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 C200-1141 available by request