C761-0877 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-ethoxy-N~1~-(4-fluorophenyl)benzamide

C761-0877 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-ethoxy-N~1~-(4-fluorophenyl)benzamide
C761-0877 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-ethoxy-N~1~-(4-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0877
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-ethoxy-N~1~-(4-fluorophenyl)benzamide

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

C761-0877

Molecular Formula

C19H18FNO4S (C19 H18 FNO4 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-ethoxy-N~1~-(4-fluorophenyl)benzamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-4-ethoxy-N-(4-fluorophenyl)benzamide

SMILES

CCOc(cc1)ccc1C(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1F)=O

InChI

InChI=1S/C19H18FNO4S/c1-2-25-18-9-3-14(4-10-18)19(22)21(16-7-5-15(20)6-8-16)17-11-12-26(23,24)13-17/h3-12,17H,2,13H2,1H3/t17-/m0/s1

InChI Key

DEPMEGCTTUAPEJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05715265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

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

2.585

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-2.86

Polar Surface Area

50.503

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-7.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

C761-0877 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 C761-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0877?
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What is the minimum amount of C761-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0877
  • 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 C761-0877 available by request