4476-2860 Screening compound: N~1~-[(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-(2-furyl)-1-ethenyl]-4-methoxybenzamide

4476-2860 Screening compound: N~1~-[(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-(2-furyl)-1-ethenyl]-4-methoxybenzamide
4476-2860 Screening compound: N~1~-[(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-(2-furyl)-1-ethenyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-2860
N~1~-[(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-(2-furyl)-1-ethenyl]-4-methoxybenzamide

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

4476-2860

Molecular Formula

C19H20N2O6S (C19 H20 N2 O6 S)

Compound Name

N~1~-[(Z)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-(2-furyl)-1-ethenyl]-4-methoxybenzamide

IUPAC name

(2Z)-N-(11-dioxo-1lambda6-thiolan-3-yl)-3-(furan-2-yl)-2-[(4-methoxyphenyl)formamido]prop-2-enamide

SMILES

COc(cc1)ccc1C(N/C(/C(NC(CC1)CS1(=O)=O)=O)=C\c1ccco1)=O

InChI

InChI=1S/C19H20N2O6S/c1-26-15-6-4-13(5-7-15)18(22)21-17(11-16-3-2-9-27-16)19(23)20-14-8-10-28(24,25)12-14/h2-7,9,11,14H,8,10,12H2,1H3,(H,20,23)(H,21,22)/t14-/m1/s1

InChI Key

WENGCBUDKNPATC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02941734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.805

Distribution Coefficient, logD

0.610

Water Solubility, LogSw

-2.02

Polar Surface Area

90.031

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

4476-2860 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4476-2860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-2860?
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What is the minimum amount of 4476-2860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-2860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-2860
  • 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 4476-2860 available by request