G012-0100 Screening compound: 1-(4-ethylphenyl)-3-(4-fluorobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

G012-0100 Screening compound: 1-(4-ethylphenyl)-3-(4-fluorobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
G012-0100 Screening compound: 1-(4-ethylphenyl)-3-(4-fluorobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound G012-0100
1-(4-ethylphenyl)-3-(4-fluorobenzyl)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

G012-0100

Molecular Formula

C20H21FN2O3S (C20 H21 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C20H21FN2O3S/c1-2-14-5-9-17(10-6-14)23-19-13-27(25,26)12-18(19)22(20(23)24)11-15-3-7-16(21)8-4-15/h3-10,18-19H,2,11-13H2,1H3

InChI Key

AHBXBHKZHVWMMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-3.20

Polar Surface Area

46.573

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-7.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

G012-0100 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 G012-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G012-0100?
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What is the minimum amount of G012-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G012-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G012-0100
  • 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 G012-0100 available by request