8012-9755 Screening compound: N~1~-{2,5-diethoxy-4-[2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-b]pyrrol-1(2H)-yl]phenyl}benzamide

8012-9755 Screening compound: N~1~-{2,5-diethoxy-4-[2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-b]pyrrol-1(2H)-yl]phenyl}benzamide
8012-9755 Screening compound: N~1~-{2,5-diethoxy-4-[2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-b]pyrrol-1(2H)-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9755
N~1~-{2,5-diethoxy-4-[2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-b]pyrrol-1(2H)-yl]phenyl}benzamide

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

8012-9755

Molecular Formula

C23H26N2O6S (C23 H26 N2 O6 S)

Compound Name

N~1~-{2,5-diethoxy-4-[2,5,5-trioxohexahydro-5lambda~6~-thieno[3,4-b]pyrrol-1(2H)-yl]phenyl}benzamide

IUPAC name

N-(25-diethoxy-4-{255-trioxo-hexahydro-1H-5lambda6-thieno[34-b]pyrrol-1-yl}phenyl)benzamide

SMILES

CCOc(c(NC(c1ccccc1)=O)c1)cc(N(C(C2)C(C3)CS2(=O)=O)C3=O)c1OCC

InChI

InChI=1S/C23H26N2O6S/c1-3-30-20-12-18(25-19-14-32(28,29)13-16(19)10-22(25)26)21(31-4-2)11-17(20)24-23(27)15-8-6-5-7-9-15/h5-9,11-12,16,19H,3-4,10,13-14H2,1-2H3,(H,24,27)

InChI Key

FUKQHJMXLMLBMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.99

Polar Surface Area

80.869

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

8012-9755 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8012-9755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9755?
Check Price and Availability of 8012-9755, 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 8012-9755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9755
  • 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 8012-9755 available by request