C761-0057 Screening compound: N~1~-(4-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxyacetamide

C761-0057 Screening compound: N~1~-(4-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxyacetamide
C761-0057 Screening compound: N~1~-(4-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0057
N~1~-(4-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-phenoxyacetamide

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

C761-0057

Molecular Formula

C18H16ClNO4S (C18 H16 ClNO4 S)

Compound Name

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

IUPAC name

N-(4-chlorophenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)N(C(C1)C=CS1(=O)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C18H16ClNO4S/c19-14-6-8-15(9-7-14)20(16-10-11-25(22,23)13-16)18(21)12-24-17-4-2-1-3-5-17/h1-11,16H,12-13H2/t16-/m1/s1

InChI Key

PXEPFYRNUOKWFT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05715175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.01

Polar Surface Area

50.351

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C761-0057 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0057?
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What is the minimum amount of C761-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0057
  • 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 C761-0057 available by request