5768-0362 Screening compound: 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]hexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione

5768-0362 Screening compound: 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]hexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione
5768-0362 Screening compound: 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]hexahydro-5lambda~6~-thieno[3,4-d]imidazole-5,5(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5768-0362
1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]hexahydro-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

5768-0362

Molecular Formula

C18H15F3N2O2S2 (C18 H15 F3 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(CC1N(C2=S)c3ccccc3)(CC1N2c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C18H15F3N2O2S2/c19-18(20,21)12-5-4-8-14(9-12)23-16-11-27(24,25)10-15(16)22(17(23)26)13-6-2-1-3-7-13/h1-9,15-16H,10-11H2

InChI Key

NXWDVNVQVUEOOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03619314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.34

Polar Surface Area

32.654

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-9.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

5768-0362 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)

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 5768-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5768-0362?
Check Price and Availability of 5768-0362, 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 5768-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5768-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5768-0362
  • 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 5768-0362 available by request