C761-0194 Screening compound: N~1~-(3-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide

C761-0194 Screening compound: N~1~-(3-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide
C761-0194 Screening compound: N~1~-(3-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0194
N~1~-(3-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-methoxybenzamide

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

C761-0194

Molecular Formula

C18H16ClNO4S (C18 H16 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(N(C(C1)C=CS1(=O)=O)c1cccc(Cl)c1)=O

InChI

InChI=1S/C18H16ClNO4S/c1-24-17-8-3-2-7-16(17)18(21)20(14-6-4-5-13(19)11-14)15-9-10-25(22,23)12-15/h2-11,15H,12H2,1H3/t15-/m1/s1

InChI Key

MVLRKKLPILNGDA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD05898546

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.810

Water Solubility, LogSw

-3.58

Polar Surface Area

51.010

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C761-0194 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 C761-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0194?
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What is the minimum amount of C761-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0194
  • 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 C761-0194 available by request