5769-0172 Screening compound: 1-phenyl-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

5769-0172 Screening compound: 1-phenyl-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
5769-0172 Screening compound: 1-phenyl-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5769-0172
1-phenyl-3-[3-(trifluoromethyl)phenyl]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

5769-0172

Molecular Formula

C18H15F3N2O3S (C18 H15 F3 N2 O3 S)

Compound Name

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

IUPAC name

1-phenyl-3-[3-(trifluoromethyl)phenyl]-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

O=C(N(C(C1)C2CS1(=O)=O)c1ccccc1)N2c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H15F3N2O3S/c19-18(20,21)12-5-4-8-14(9-12)23-16-11-27(25,26)10-15(16)22(17(23)24)13-6-2-1-3-7-13/h1-9,15-16H,10-11H2

InChI Key

PCZQAXFFWQHABF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02660345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.581

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-3.01

Polar Surface Area

45.962

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-8.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

5769-0172 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5769-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5769-0172?
Check Price and Availability of 5769-0172, 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 5769-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5769-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5769-0172
  • 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 5769-0172 available by request