6376-0020 Screening compound: 1-(4-fluorophenyl)-3-phenyl-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione

6376-0020 Screening compound: 1-(4-fluorophenyl)-3-phenyl-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione
6376-0020 Screening compound: 1-(4-fluorophenyl)-3-phenyl-2-thioxohexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6376-0020
1-(4-fluorophenyl)-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

6376-0020

Molecular Formula

C17H15FN2O2S2 (C17 H15 FN2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(CC1N(C2=S)c3ccccc3)(CC1N2c(cc1)ccc1F)=O

InChI

InChI=1S/C17H15FN2O2S2/c18-12-6-8-14(9-7-12)20-16-11-24(21,22)10-15(16)19(17(20)23)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2

InChI Key

KPSMOCQPWHFTJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04064626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

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

1.968

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-2.41

Polar Surface Area

32.654

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-8.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

6376-0020 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6376-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6376-0020?
Check Price and Availability of 6376-0020, 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 6376-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6376-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6376-0020
  • 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 6376-0020 available by request