Y070-4860 Screening compound: (E)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-N~1~-(2-furylmethyl)-2-propenamide

Y070-4860 Screening compound: (E)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-N~1~-(2-furylmethyl)-2-propenamide
Y070-4860 Screening compound: (E)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-N~1~-(2-furylmethyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4860
(E)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-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

Y070-4860

Molecular Formula

C16H17NO5S (C16 H17 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C=C/c1ccco1)N(Cc1ccco1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C16H17NO5S/c18-16(6-5-14-3-1-8-21-14)17(11-15-4-2-9-22-15)13-7-10-23(19,20)12-13/h1-6,8-9,13H,7,10-12H2/t13-/m1/s1

InChI Key

ODKOZSTVZZBQEE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD04183650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.162

Distribution Coefficient, logD

1.162

Water Solubility, LogSw

-2.11

Polar Surface Area

58.830

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

Y070-4860 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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

References: we are preparing a list of scientific research reports with Y070-4860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4860?
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What is the minimum amount of Y070-4860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4860
  • 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 Y070-4860 available by request