C761-1294 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)acetamide

C761-1294 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)acetamide
C761-1294 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1294
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)acetamide

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

C761-1294

Molecular Formula

C15H19NO3S (C15 H19 NO3 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-isopropylphenyl)acetamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1N(C(C1)C=CS1(=O)=O)C(C)=O

InChI

InChI=1S/C15H19NO3S/c1-11(2)13-4-6-14(7-5-13)16(12(3)17)15-8-9-20(18,19)10-15/h4-9,11,15H,10H2,1-3H3/t15-/m0/s1

InChI Key

NHWMUNAZIJRZRH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05715319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.39

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

2.070

Distribution Coefficient, logD

2.070

Water Solubility, LogSw

-2.49

Polar Surface Area

44.119

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C761-1294 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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 C761-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1294?
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What is the minimum amount of C761-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1294
  • 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 C761-1294 available by request