G012-0545 Screening compound: 1-(3-fluorobenzyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

G012-0545 Screening compound: 1-(3-fluorobenzyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
G012-0545 Screening compound: 1-(3-fluorobenzyl)-3-phenyltetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound G012-0545
1-(3-fluorobenzyl)-3-phenyltetrahydro-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

G012-0545

Molecular Formula

C18H17FN2O3S (C18 H17 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(N(Cc1cc(F)ccc1)C(C1)C2CS1(=O)=O)N2c1ccccc1

InChI

InChI=1S/C18H17FN2O3S/c19-14-6-4-5-13(9-14)10-20-16-11-25(23,24)12-17(16)21(18(20)22)15-7-2-1-3-8-15/h1-9,16-17H,10-12H2

InChI Key

FGVJHHPLDLIEMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

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

1.858

Distribution Coefficient, logD

1.858

Water Solubility, LogSw

-2.51

Polar Surface Area

46.573

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-7.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

G012-0545 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 G012-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G012-0545?
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What is the minimum amount of G012-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G012-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G012-0545
  • 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 G012-0545 available by request