8012-7235 Screening compound: 1-(2,4-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione

8012-7235 Screening compound: 1-(2,4-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione
8012-7235 Screening compound: 1-(2,4-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7235
1-(2,4-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-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

8012-7235

Molecular Formula

C14H17NO3S (C14 H17 NO3 S)

Compound Name

1-(2,4-dimethylphenyl)tetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione

IUPAC name

1-(24-dimethylphenyl)-hexahydro-1H-5lambda6-thieno[34-b]pyrrole-255-trione

SMILES

Cc(cc1)cc(C)c1N(C(C1)C(C2)CS1(=O)=O)C2=O

InChI

InChI=1S/C14H17NO3S/c1-9-3-4-12(10(2)5-9)15-13-8-19(17,18)7-11(13)6-14(15)16/h3-5,11,13H,6-8H2,1-2H3

InChI Key

HXCCIENHFLUHPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-2.29

Polar Surface Area

44.055

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-6.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

8012-7235 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 8012-7235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7235?
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What is the minimum amount of 8012-7235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7235
  • 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 8012-7235 available by request