C200-1136 Screening compound: 5-(3-carboxyphenyl)-3-(2-hydroxy-3-methoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

C200-1136 Screening compound: 5-(3-carboxyphenyl)-3-(2-hydroxy-3-methoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
C200-1136 Screening compound: 5-(3-carboxyphenyl)-3-(2-hydroxy-3-methoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1136
5-(3-carboxyphenyl)-3-(2-hydroxy-3-methoxyphenyl)-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

C200-1136

Molecular Formula

C21H18N2O8 (C21 H18 N2 O8)

Compound Name

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

IUPAC name

5-(3-carboxyphenyl)-3-(2-hydroxy-3-methoxyphenyl)-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

COc1cccc(C(C(C2C(N3c4cc(C(O)=O)ccc4)=O)C3=O)NC2C(O)=O)c1O

InChI

InChI=1S/C21H18N2O8/c1-31-12-7-3-6-11(17(12)24)15-13-14(16(22-15)21(29)30)19(26)23(18(13)25)10-5-2-4-9(8-10)20(27)28/h2-8,13-16,22,24H,1H3,(H,27,28)(H,29,30)

InChI Key

MQAPAQVQATVFKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.38

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.012

Distribution Coefficient, logD

-2.678

Water Solubility, LogSw

-1.87

Polar Surface Area

121.952

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

23.80

C200-1136 in Drug Discovery

Included in Screening Libraries

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

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 C200-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1136?
Check Price and Availability of C200-1136, 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 C200-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1136
  • 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 C200-1136 available by request