8012-9758 Screening compound: 1-(2,4-dichlorophenyl)tetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione

8012-9758 Screening compound: 1-(2,4-dichlorophenyl)tetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione
8012-9758 Screening compound: 1-(2,4-dichlorophenyl)tetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9758
1-(2,4-dichlorophenyl)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

8012-9758

Molecular Formula

C12H11Cl2NO3S (C12 H11 Cl2 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1)C2CS1(=O)=O)N2c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C12H11Cl2NO3S/c13-8-1-2-10(9(14)4-8)15-11-6-19(17,18)5-7(11)3-12(15)16/h1-2,4,7,11H,3,5-6H2

InChI Key

BLOZLGQGBWDTDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.2

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

1.588

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-2.70

Polar Surface Area

44.055

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-9.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

8012-9758 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8012-9758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9758?
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What is the minimum amount of 8012-9758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9758
  • 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 8012-9758 available by request