C761-0493 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxyphenyl)butanamide

C761-0493 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxyphenyl)butanamide
C761-0493 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0493
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxyphenyl)butanamide

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

C761-0493

Molecular Formula

C16H21NO4S (C16 H21 NO4 S)

Compound Name

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

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-(4-ethoxyphenyl)butanamide

SMILES

CCCC(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1OCC)=O

InChI

InChI=1S/C16H21NO4S/c1-3-5-16(18)17(14-10-11-22(19,20)12-14)13-6-8-15(9-7-13)21-4-2/h6-11,14H,3-5,12H2,1-2H3/t14-/m0/s1

InChI Key

GQZQHRJUWXTQJW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05898613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.52

Polar Surface Area

50.247

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

C761-0493 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0493?
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What is the minimum amount of C761-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0493
  • 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 C761-0493 available by request