1309-1504 Screening compound: N~1~-((E)-2-(4-chlorophenyl)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-1-ethenyl)benzamide

1309-1504 Screening compound: N~1~-((E)-2-(4-chlorophenyl)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-1-ethenyl)benzamide
1309-1504 Screening compound: N~1~-((E)-2-(4-chlorophenyl)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-1-ethenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1504
N~1~-((E)-2-(4-chlorophenyl)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-1-ethenyl)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

1309-1504

Molecular Formula

C20H19ClN2O4S (C20 H19 ClN2 O4 S)

Compound Name

N~1~-((E)-2-(4-chlorophenyl)-1-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-1-ethenyl)benzamide

IUPAC name

(2E)-3-(4-chlorophenyl)-N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(phenylformamido)prop-2-enamide

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Cl)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C20H19ClN2O4S/c21-16-8-6-14(7-9-16)12-18(23-19(24)15-4-2-1-3-5-15)20(25)22-17-10-11-28(26,27)13-17/h1-9,12,17H,10-11,13H2,(H,22,25)(H,23,24)/t17-/m0/s1

InChI Key

LYDCBEQLEQDMED-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00266641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

1.037

Water Solubility, LogSw

-3.04

Polar Surface Area

74.739

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

1309-1504 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 1309-1504 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1309-1504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1504
  • 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 1309-1504 available by request