G012-0098 Screening compound: 1-(4-ethylphenyl)-3-(2-fluorobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

G012-0098 Screening compound: 1-(4-ethylphenyl)-3-(2-fluorobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
G012-0098 Screening compound: 1-(4-ethylphenyl)-3-(2-fluorobenzyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound G012-0098
1-(4-ethylphenyl)-3-(2-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

G012-0098

Molecular Formula

C20H21FN2O3S (C20 H21 FN2 O3 S)

Compound Name

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

IUPAC name

1-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-hexahydro-1H-5lambda6-thieno[34-d]imidazole-255-trione

SMILES

CCc(cc1)ccc1N(C(CS(C1)(=O)=O)C1N1Cc(cccc2)c2F)C1=O

InChI

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

InChI Key

ZTNCKMJGPGBVAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976429

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

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.31

Polar Surface Area

46.573

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-7.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

G012-0098 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 G012-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G012-0098?
Check Price and Availability of G012-0098, 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 G012-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G012-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G012-0098
  • 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 G012-0098 available by request