C761-0578 Screening compound: N-(11-DIOXO-23-DIHYDRO-1LAMBDA6-THIOPHEN-3-YL)-N-PHENYLCYCLOPENTANECARBOXAMIDE

C761-0578 Screening compound: N-(11-DIOXO-23-DIHYDRO-1LAMBDA6-THIOPHEN-3-YL)-N-PHENYLCYCLOPENTANECARBOXAMIDE
C761-0578 Screening compound: N-(11-DIOXO-23-DIHYDRO-1LAMBDA6-THIOPHEN-3-YL)-N-PHENYLCYCLOPENTANECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0578
N-(11-DIOXO-23-DIHYDRO-1LAMBDA6-THIOPHEN-3-YL)-N-PHENYLCYCLOPENTANECARBOXAMIDE

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

C761-0578

Molecular Formula

C16H19NO3S (C16 H19 NO3 S)

Compound Name

N-(11-DIOXO-23-DIHYDRO-1LAMBDA6-THIOPHEN-3-YL)-N-PHENYLCYCLOPENTANECARBOXAMIDE

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-phenylcyclopentanecarboxamide

SMILES

O=C(C1CCCC1)N(C(C1)C=CS1(=O)=O)c1ccccc1

InChI

InChI=1S/C16H19NO3S/c18-16(13-6-4-5-7-13)17(14-8-2-1-3-9-14)15-10-11-21(19,20)12-15/h1-3,8-11,13,15H,4-7,12H2/t15-/m0/s1

InChI Key

HVHVAYUSMCCBBQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05715220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.109

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-2.46

Polar Surface Area

43.938

Acid Dissociation Constant (pKa)

21.30

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

C761-0578 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C761-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0578?
Check Price and Availability of C761-0578, 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 C761-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0578
  • 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 C761-0578 available by request