C200-4837 Screening compound: 4-{[3-(3-chloro-4-methylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile

C200-4837 Screening compound: 4-{[3-(3-chloro-4-methylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile
C200-4837 Screening compound: 4-{[3-(3-chloro-4-methylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4837
4-{[3-(3-chloro-4-methylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile

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

C200-4837

Molecular Formula

C20H18ClN3O3S (C20 H18 ClN3 O3 S)

Compound Name

4-{[3-(3-chloro-4-methylphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]methyl}benzonitrile

IUPAC name

4-{[3-(3-chloro-4-methylphenyl)-255-trioxo-hexahydro-1H-5lambda6-thieno[34-d]imidazol-1-yl]methyl}benzonitrile

SMILES

Cc(ccc(N(C(CS(C1)(=O)=O)C1N1Cc(cc2)ccc2C#N)C1=O)c1)c1Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-13-2-7-16(8-17(13)21)24-19-12-28(26,27)11-18(19)23(20(24)25)10-15-5-3-14(9-22)4-6-15/h2-8,18-19H,10-12H2,1H3

InChI Key

FMNRXOSQFXWWFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.45

Polar Surface Area

63.629

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-7.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

C200-4837 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C200-4837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4837?
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What is the minimum amount of C200-4837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4837
  • 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 C200-4837 available by request