C761-0481 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxyphenyl)-2-phenoxypropanamide

C761-0481 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxyphenyl)-2-phenoxypropanamide
C761-0481 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxyphenyl)-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0481
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxyphenyl)-2-phenoxypropanamide

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

C761-0481

Molecular Formula

C21H23NO5S (C21 H23 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(C1)C=CS1(=O)=O)C(C(C)Oc1ccccc1)=O

InChI

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

InChI Key

ZJDPFBYMXUWDTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898608

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

2.847

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.29

Polar Surface Area

57.292

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

C761-0481 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 C761-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0481?
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What is the minimum amount of C761-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0481
  • 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 C761-0481 available by request