D110-0008 Screening compound: 1-(3-methoxyphenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

D110-0008 Screening compound: 1-(3-methoxyphenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
D110-0008 Screening compound: 1-(3-methoxyphenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D110-0008
1-(3-methoxyphenyl)-3-phenyltetrahydro-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

D110-0008

Molecular Formula

C18H18N2O4S (C18 H18 N2 O4 S)

Compound Name

1-(3-methoxyphenyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

IUPAC name

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

SMILES

COc1cccc(N(C(CS(C2)(=O)=O)C2N2c3ccccc3)C2=O)c1

InChI

InChI=1S/C18H18N2O4S/c1-24-15-9-5-8-14(10-15)20-17-12-25(22,23)11-16(17)19(18(20)21)13-6-3-2-4-7-13/h2-10,16-17H,11-12H2,1H3

InChI Key

DCNDOQQENIKQBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03028812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.889

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-2.55

Polar Surface Area

53.505

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

-7.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

D110-0008 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D110-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D110-0008?
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What is the minimum amount of D110-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D110-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D110-0008
  • 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 D110-0008 available by request