G012-0609 Screening compound: {N}-benzyl-2-[3-(3-chloro-4-methylphenyl)-5,5-dioxido-2-oxohexahydro-1{H}-thieno[3,4-{d}]imidazol-1-yl]-{N}-ethylacetamide

G012-0609 Screening compound: {N}-benzyl-2-[3-(3-chloro-4-methylphenyl)-5,5-dioxido-2-oxohexahydro-1{H}-thieno[3,4-{d}]imidazol-1-yl]-{N}-ethylacetamide
G012-0609 Screening compound: {N}-benzyl-2-[3-(3-chloro-4-methylphenyl)-5,5-dioxido-2-oxohexahydro-1{H}-thieno[3,4-{d}]imidazol-1-yl]-{N}-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G012-0609
{N}-benzyl-2-[3-(3-chloro-4-methylphenyl)-5,5-dioxido-2-oxohexahydro-1{H}-thieno[3,4-{d}]imidazol-1-yl]-{N}-ethylacetamide

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

G012-0609

Molecular Formula

C23H26ClN3O4S (C23 H26 ClN3 O4 S)

Compound Name

{N}-benzyl-2-[3-(3-chloro-4-methylphenyl)-5,5-dioxido-2-oxohexahydro-1{H}-thieno[3,4-{d}]imidazol-1-yl]-{N}-ethylacetamide

IUPAC name

N-benzyl-2-[3-(3-chloro-4-methylphenyl)-255-trioxo-hexahydro-1H-5lambda6-thieno[34-d]imidazol-1-yl]-N-ethylacetamide

SMILES

CCN(Cc1ccccc1)C(CN(C(CS(C1)(=O)=O)C1N1c2cc(Cl)c(C)cc2)C1=O)=O

InChI

InChI=1S/C23H26ClN3O4S/c1-3-25(12-17-7-5-4-6-8-17)22(28)13-26-20-14-32(30,31)15-21(20)27(23(26)29)18-10-9-16(2)19(24)11-18/h4-11,20-21H,3,12-15H2,1-2H3

InChI Key

XNUDXPGFJRZSNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.31

Polar Surface Area

62.253

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

G012-0609 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 G012-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G012-0609?
Check Price and Availability of G012-0609, 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 G012-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G012-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G012-0609
  • 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 G012-0609 available by request