C200-4094 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(3,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

C200-4094 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(3,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
C200-4094 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(3,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4094
1-(2-chloro-4-fluorobenzyl)-3-(3,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

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

C200-4094

Molecular Formula

C20H20ClFN2O3S (C20 H20 ClFN2 O3 S)

Compound Name

1-(2-chloro-4-fluorobenzyl)-3-(3,5-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-(35-dimethylphenyl)-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

Cc1cc(N(C(CS(C2)(=O)=O)C2N2Cc(ccc(F)c3)c3Cl)C2=O)cc(C)c1

InChI

InChI=1S/C20H20ClFN2O3S/c1-12-5-13(2)7-16(6-12)24-19-11-28(26,27)10-18(19)23(20(24)25)9-14-3-4-15(22)8-17(14)21/h3-8,18-19H,9-11H2,1-2H3

InChI Key

ZLWGULMNWSURLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.30

Polar Surface Area

46.573

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-8.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

C200-4094 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C200-4094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4094?
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What is the minimum amount of C200-4094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4094
  • 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 C200-4094 available by request