G012-0477 Screening compound: 1-(2,5-DIMETHYLPHENYL)-3-[(2,5-DIMETHYLPHENYL)METHYL]-HEXAHYDRO-1H-5??^(6)-THIENO[3,4-D]IMIDAZOLE-2,5,5-TRIONE

G012-0477 Screening compound: 1-(2,5-DIMETHYLPHENYL)-3-[(2,5-DIMETHYLPHENYL)METHYL]-HEXAHYDRO-1H-5??^(6)-THIENO[3,4-D]IMIDAZOLE-2,5,5-TRIONE
G012-0477 Screening compound: 1-(2,5-DIMETHYLPHENYL)-3-[(2,5-DIMETHYLPHENYL)METHYL]-HEXAHYDRO-1H-5??^(6)-THIENO[3,4-D]IMIDAZOLE-2,5,5-TRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound G012-0477
1-(2,5-DIMETHYLPHENYL)-3-[(2,5-DIMETHYLPHENYL)METHYL]-HEXAHYDRO-1H-5??^(6)-THIENO[3,4-D]IMIDAZOLE-2,5,5-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

G012-0477

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

1-(2,5-DIMETHYLPHENYL)-3-[(2,5-DIMETHYLPHENYL)METHYL]-HEXAHYDRO-1H-5??^(6)-THIENO[3,4-D]IMIDAZOLE-2,5,5-TRIONE

IUPAC name

1-(25-dimethylphenyl)-3-[(25-dimethylphenyl)methyl]-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

Cc1cc(CN(C(CS(C2)(=O)=O)C2N2c3c(C)ccc(C)c3)C2=O)c(C)cc1

InChI

InChI=1S/C22H26N2O3S/c1-14-5-7-16(3)18(9-14)11-23-20-12-28(26,27)13-21(20)24(22(23)25)19-10-15(2)6-8-17(19)4/h5-10,20-21H,11-13H2,1-4H3

InChI Key

NNFRPDXKFJGFRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

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

4.283

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.36

Polar Surface Area

46.272

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-8.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

G012-0477 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 G012-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G012-0477?
Check Price and Availability of G012-0477, 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 G012-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G012-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G012-0477
  • 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 G012-0477 available by request