C761-0234 Screening compound: N~1~-(3-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxybenzamide

C761-0234 Screening compound: N~1~-(3-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxybenzamide
C761-0234 Screening compound: N~1~-(3-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0234
N~1~-(3-chlorophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-isopropoxybenzamide

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

C761-0234

Molecular Formula

C20H20ClNO4S (C20 H20 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc(cc1)ccc1C(N(C(C1)C=CS1(=O)=O)c1cccc(Cl)c1)=O

InChI

InChI=1S/C20H20ClNO4S/c1-14(2)26-19-8-6-15(7-9-19)20(23)22(17-5-3-4-16(21)12-17)18-10-11-27(24,25)13-18/h3-12,14,18H,13H2,1-2H3/t18-/m1/s1

InChI Key

LUSAAUNTQWNXLR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05898562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.9

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

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.89

Polar Surface Area

50.182

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-7.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C761-0234 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 C761-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0234?
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What is the minimum amount of C761-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0234
  • 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 C761-0234 available by request