G012-0266 Screening compound: 1-(4-ethoxyphenyl)-3-(3-methylbenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

G012-0266 Screening compound: 1-(4-ethoxyphenyl)-3-(3-methylbenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
G012-0266 Screening compound: 1-(4-ethoxyphenyl)-3-(3-methylbenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound G012-0266
1-(4-ethoxyphenyl)-3-(3-methylbenzyl)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

G012-0266

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

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

IUPAC name

1-(4-ethoxyphenyl)-3-[(3-methylphenyl)methyl]-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

CCOc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1Cc2cc(C)ccc2)C1=O

InChI

InChI=1S/C21H24N2O4S/c1-3-27-18-9-7-17(8-10-18)23-20-14-28(25,26)13-19(20)22(21(23)24)12-16-6-4-5-15(2)11-16/h4-11,19-20H,3,12-14H2,1-2H3

InChI Key

OYGROTWRHAWVBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.24

Polar Surface Area

53.697

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-6.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

G012-0266 in Drug Discovery

Included in Screening Libraries

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 G012-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G012-0266?
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What is the minimum amount of G012-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G012-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G012-0266
  • 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 G012-0266 available by request