6497-0004 Screening compound: 1-(4-methoxyphenyl)-3-(4-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

6497-0004 Screening compound: 1-(4-methoxyphenyl)-3-(4-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
6497-0004 Screening compound: 1-(4-methoxyphenyl)-3-(4-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6497-0004
1-(4-methoxyphenyl)-3-(4-methylphenyl)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

6497-0004

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C19H20N2O4S/c1-13-3-5-14(6-4-13)20-17-11-26(23,24)12-18(17)21(19(20)22)15-7-9-16(25-2)10-8-15/h3-10,17-18H,11-12H2,1-2H3

InChI Key

AMNZMDOXVOKVFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04443660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

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

2.237

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-2.56

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

31.60

6497-0004 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6497-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6497-0004?
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What is the minimum amount of 6497-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6497-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6497-0004
  • 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 6497-0004 available by request