Y070-3566 Screening compound: (E)-3-(4-chlorophenyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-propenamide

Y070-3566 Screening compound: (E)-3-(4-chlorophenyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-propenamide
Y070-3566 Screening compound: (E)-3-(4-chlorophenyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3566
(E)-3-(4-chlorophenyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-propenamide

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

Y070-3566

Molecular Formula

C18H18ClNO4S (C18 H18 ClNO4 S)

Compound Name

(E)-3-(4-chlorophenyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-furylmethyl)-2-propenamide

IUPAC name

(2E)-3-(4-chlorophenyl)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(furan-2-yl)methyl]prop-2-enamide

SMILES

O=C(/C=C/c(cc1)ccc1Cl)N(Cc1ccco1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C18H18ClNO4S/c19-15-6-3-14(4-7-15)5-8-18(21)20(12-17-2-1-10-24-17)16-9-11-25(22,23)13-16/h1-8,10,16H,9,11-13H2/t16-/m0/s1

InChI Key

ZZLVALDLGVUMEP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04174592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.86

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

2.612

Distribution Coefficient, logD

2.612

Water Solubility, LogSw

-3.35

Polar Surface Area

51.081

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

Y070-3566 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y070-3566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3566?
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What is the minimum amount of Y070-3566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3566
  • 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 Y070-3566 available by request