D110-0181 Screening compound: 1-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

D110-0181 Screening compound: 1-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
D110-0181 Screening compound: 1-(2-chlorophenyl)-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 D110-0181
1-(2-chlorophenyl)-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

D110-0181

Molecular Formula

C18H14ClF3N2O3S (C18 H14 ClF3 N2 O3 S)

Compound Name

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

IUPAC name

1-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

O=C(N(C(C1)C2CS1(=O)=O)c1cc(C(F)(F)F)ccc1)N2c(cccc1)c1Cl

InChI

InChI=1S/C18H14ClF3N2O3S/c19-13-6-1-2-7-14(13)24-16-10-28(26,27)9-15(16)23(17(24)25)12-5-3-4-11(8-12)18(20,21)22/h1-8,15-16H,9-10H2

InChI Key

CKRJIMVKHPSCIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03696135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.83

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

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.54

Polar Surface Area

45.661

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-9.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

D110-0181 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D110-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D110-0181?
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What is the minimum amount of D110-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D110-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D110-0181
  • 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 D110-0181 available by request