G012-0225 Screening compound: N~1~-(2-chlorobenzyl)-2-[3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]acetamide

G012-0225 Screening compound: N~1~-(2-chlorobenzyl)-2-[3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]acetamide
G012-0225 Screening compound: N~1~-(2-chlorobenzyl)-2-[3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G012-0225
N~1~-(2-chlorobenzyl)-2-[3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]acetamide

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

G012-0225

Molecular Formula

C22H24ClN3O5S (C22 H24 ClN3 O5 S)

Compound Name

N~1~-(2-chlorobenzyl)-2-[3-(4-ethoxyphenyl)-2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-d]imidazol-1(2H)-yl]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[3-(4-ethoxyphenyl)-255-trioxo-hexahydro-1H-5lambda6-thieno[34-d]imidazol-1-yl]acetamide

SMILES

CCOc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1CC(NCc(cccc2)c2Cl)=O)C1=O

InChI

InChI=1S/C22H24ClN3O5S/c1-2-31-17-9-7-16(8-10-17)26-20-14-32(29,30)13-19(20)25(22(26)28)12-21(27)24-11-15-5-3-4-6-18(15)23/h3-10,19-20H,2,11-14H2,1H3,(H,24,27)

InChI Key

FPGONWSVTPUJPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.349

Distribution Coefficient, logD

2.349

Water Solubility, LogSw

-3.13

Polar Surface Area

78.168

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

G012-0225 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G012-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G012-0225?
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What is the minimum amount of G012-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G012-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G012-0225
  • 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 G012-0225 available by request