C200-1127 Screening compound: 5-(3-carboxyphenyl)-3-(2,5-dimethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

C200-1127 Screening compound: 5-(3-carboxyphenyl)-3-(2,5-dimethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
C200-1127 Screening compound: 5-(3-carboxyphenyl)-3-(2,5-dimethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1127
5-(3-carboxyphenyl)-3-(2,5-dimethoxyphenyl)-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

C200-1127

Molecular Formula

C22H20N2O8 (C22 H20 N2 O8)

Compound Name

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

IUPAC name

5-(3-carboxyphenyl)-3-(25-dimethoxyphenyl)-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

COc(cc1)cc(C(C(C2C(N3c4cc(C(O)=O)ccc4)=O)C3=O)NC2C(O)=O)c1OC

InChI

InChI=1S/C22H20N2O8/c1-31-12-6-7-14(32-2)13(9-12)17-15-16(18(23-17)22(29)30)20(26)24(19(15)25)11-5-3-4-10(8-11)21(27)28/h3-9,15-18,23H,1-2H3,(H,27,28)(H,29,30)

InChI Key

ZRBRCYWEXZDFLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.445

Distribution Coefficient, logD

-2.245

Water Solubility, LogSw

-1.90

Polar Surface Area

114.017

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

27.30

C200-1127 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C200-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1127?
Check Price and Availability of C200-1127, 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 C200-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1127
  • 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 C200-1127 available by request