C761-0898 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-triethoxy-N~1~-(4-fluorophenyl)benzamide

C761-0898 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-triethoxy-N~1~-(4-fluorophenyl)benzamide
C761-0898 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-triethoxy-N~1~-(4-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0898
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-triethoxy-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

C761-0898

Molecular Formula

C23H26FNO6S (C23 H26 FNO6 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-3,4,5-triethoxy-N~1~-(4-fluorophenyl)benzamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-345-triethoxy-N-(4-fluorophenyl)benzamide

SMILES

CCOc1cc(C(N(C(C2)C=CS2(=O)=O)c(cc2)ccc2F)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H26FNO6S/c1-4-29-20-13-16(14-21(30-5-2)22(20)31-6-3)23(26)25(18-9-7-17(24)8-10-18)19-11-12-32(27,28)15-19/h7-14,19H,4-6,15H2,1-3H3/t19-/m0/s1

InChI Key

NJGLGWBFPKGVGW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05898699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.34

Polar Surface Area

65.097

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-7.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C761-0898 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 C761-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0898?
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What is the minimum amount of C761-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0898
  • 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 C761-0898 available by request