Y070-2839 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[5-acetamido-4-(thiophen-2-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]furan-2-yl}benzoate

Y070-2839 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[5-acetamido-4-(thiophen-2-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]furan-2-yl}benzoate
Y070-2839 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[5-acetamido-4-(thiophen-2-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2839
ethyl 4-{5-[(1E)-2-cyano-2-[5-acetamido-4-(thiophen-2-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]furan-2-yl}benzoate

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

Y070-2839

Molecular Formula

C25H19N3O4S2 (C25 H19 N3 O4 S2)

Compound Name

ethyl 4-{5-[(1E)-2-cyano-2-[5-acetamido-4-(thiophen-2-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]furan-2-yl}benzoate

IUPAC name

ethyl 4-{5-[(1E)-2-cyano-2-[5-acetamido-4-(thiophen-2-yl)-13-thiazol-2-yl]eth-1-en-1-yl]furan-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/c2nc(-c3cccs3)c(NC(C)=O)s2)\C#N)o1)=O

InChI

InChI=1S/C25H19N3O4S2/c1-3-31-25(30)17-8-6-16(7-9-17)20-11-10-19(32-20)13-18(14-26)23-28-22(21-5-4-12-33-21)24(34-23)27-15(2)29/h4-13H,3H2,1-2H3,(H,27,29)

InChI Key

FSUHJODEGUVJQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03531457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.998

Distribution Coefficient, logD

5.997

Water Solubility, LogSw

-5.51

Polar Surface Area

78.907

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

Y070-2839 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2839?
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What is the minimum amount of Y070-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2839
  • 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 Y070-2839 available by request