C229-0981 Screening compound: 1-benzyl-5-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

C229-0981 Screening compound: 1-benzyl-5-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
C229-0981 Screening compound: 1-benzyl-5-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C229-0981
1-benzyl-5-(2,4-dichlorophenyl)-3-(3,4-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

C229-0981

Molecular Formula

C28H24Cl2N2O6 (C28 H24 Cl2 N2 O6)

Compound Name

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

IUPAC name

1-benzyl-5-(24-dichlorophenyl)-3-(34-dimethoxyphenyl)-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

COc(ccc(C(C(C1C(N2c(ccc(Cl)c3)c3Cl)=O)C2=O)NC1(Cc1ccccc1)C(O)=O)c1)c1OC

InChI

InChI=1S/C28H24Cl2N2O6/c1-37-20-11-8-16(12-21(20)38-2)24-22-23(28(31-24,27(35)36)14-15-6-4-3-5-7-15)26(34)32(25(22)33)19-10-9-17(29)13-18(19)30/h3-13,22-24,31H,14H2,1-2H3,(H,35,36)

InChI Key

NGCVIQCMSGHQNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

1.510

Water Solubility, LogSw

-4.28

Polar Surface Area

85.520

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.00

C229-0981 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 C229-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C229-0981?
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What is the minimum amount of C229-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C229-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C229-0981
  • 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 C229-0981 available by request