8012-6844 Screening compound: 1-phenyltetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione

8012-6844 Screening compound: 1-phenyltetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione
8012-6844 Screening compound: 1-phenyltetrahydro-5lambda~6~-thieno[3,4-b]pyrrole-2,5,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6844
1-phenyltetrahydro-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

8012-6844

Molecular Formula

C12H13NO3S (C12 H13 NO3 S)

Compound Name

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

IUPAC name

1-phenyl-hexahydro-1H-5lambda6-thieno[34-b]pyrrole-255-trione

SMILES

O=C(CC(C1)C2CS1(=O)=O)N2c1ccccc1

InChI

InChI=1S/C12H13NO3S/c14-12-6-9-7-17(15,16)8-11(9)13(12)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2

InChI Key

ZSRXAQYHCCCOLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.31

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

0.264

Distribution Coefficient, logD

0.264

Water Solubility, LogSw

-1.85

Polar Surface Area

44.356

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-7.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

8012-6844 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

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 8012-6844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6844?
Check Price and Availability of 8012-6844, 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 8012-6844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6844
  • 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 8012-6844 available by request