5436-0809 Screening compound: 1-(4-methylphenyl)-3-phenyl-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione

5436-0809 Screening compound: 1-(4-methylphenyl)-3-phenyl-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione
5436-0809 Screening compound: 1-(4-methylphenyl)-3-phenyl-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5436-0809
1-(4-methylphenyl)-3-phenyl-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione

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

5436-0809

Molecular Formula

C18H18N2O2S2 (C18 H18 N2 O2 S2)

Compound Name

1-(4-methylphenyl)-3-phenyl-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione

IUPAC name

1-(4-methylphenyl)-3-phenyl-2-sulfanylidene-hexahydro-1H-5lambda6-thieno[34-d]imidazole-55-dione

SMILES

Cc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1c2ccccc2)C1=S

InChI

InChI=1S/C18H18N2O2S2/c1-13-7-9-15(10-8-13)20-17-12-24(21,22)11-16(17)19(18(20)23)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3

InChI Key

RFNSVBYCXKCXKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03544507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.56

Polar Surface Area

32.654

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-7.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

5436-0809 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5436-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5436-0809?
Check Price and Availability of 5436-0809, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5436-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5436-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5436-0809
  • 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 5436-0809 available by request