C761-0936 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethoxyphenyl)-N~1~-(4-methoxyphenyl)acetamide

C761-0936 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethoxyphenyl)-N~1~-(4-methoxyphenyl)acetamide
C761-0936 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethoxyphenyl)-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0936
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-ethoxyphenyl)-N~1~-(4-methoxyphenyl)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

C761-0936

Molecular Formula

C21H23NO5S (C21 H23 NO5 S)

Compound Name

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

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-2-(4-ethoxyphenyl)-N-(4-methoxyphenyl)acetamide

SMILES

CCOc1ccc(CC(N(C(C2)C=CS2(=O)=O)c(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C21H23NO5S/c1-3-27-20-8-4-16(5-9-20)14-21(23)22(18-12-13-28(24,25)15-18)17-6-10-19(26-2)11-7-17/h4-13,18H,3,14-15H2,1-2H3/t18-/m0/s1

InChI Key

KTKSNRDRWRNMBZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06401766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-2.92

Polar Surface Area

57.519

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C761-0936 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 C761-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0936?
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What is the minimum amount of C761-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0936
  • 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 C761-0936 available by request