6497-0002 Screening compound: 1-(4-chlorophenyl)-3-(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

6497-0002 Screening compound: 1-(4-chlorophenyl)-3-(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
6497-0002 Screening compound: 1-(4-chlorophenyl)-3-(4-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6497-0002
1-(4-chlorophenyl)-3-(4-methoxyphenyl)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

6497-0002

Molecular Formula

C18H17ClN2O4S (C18 H17 ClN2 O4 S)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-3-(4-methoxyphenyl)-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

COc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1c(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C18H17ClN2O4S/c1-25-15-8-6-14(7-9-15)21-17-11-26(23,24)10-16(17)20(18(21)22)13-4-2-12(19)3-5-13/h2-9,16-17H,10-11H2,1H3

InChI Key

CESBMHZTHWVGEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05237816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.89

Polar Surface Area

53.505

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

6497-0002 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6497-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6497-0002?
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What is the minimum amount of 6497-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6497-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6497-0002
  • 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 6497-0002 available by request