C200-4442 Screening compound: 1-(3-methoxybenzyl)-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

C200-4442 Screening compound: 1-(3-methoxybenzyl)-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
C200-4442 Screening compound: 1-(3-methoxybenzyl)-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4442
1-(3-methoxybenzyl)-3-[3-(methylsulfanyl)phenyl]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

C200-4442

Molecular Formula

C20H22N2O4S2 (C20 H22 N2 O4 S2)

Compound Name

1-(3-methoxybenzyl)-3-[3-(methylsulfanyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

IUPAC name

1-[(3-methoxyphenyl)methyl]-3-[3-(methylsulfanyl)phenyl]-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

COc1cccc(CN(C(CS(C2)(=O)=O)C2N2c3cc(SC)ccc3)C2=O)c1

InChI

InChI=1S/C20H22N2O4S2/c1-26-16-7-3-5-14(9-16)11-21-18-12-28(24,25)13-19(18)22(20(21)23)15-6-4-8-17(10-15)27-2/h3-10,18-19H,11-13H2,1-2H3

InChI Key

CVQZJJYAVFQRJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-2.79

Polar Surface Area

54.117

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

C200-4442 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 C200-4442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4442?
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What is the minimum amount of C200-4442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4442
  • 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 C200-4442 available by request