Y070-3027 Screening compound: ethyl 4-(5-{[(5Z)-6-oxo-2-[(1E)-2-phenylethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}furan-2-yl)benzoate

Y070-3027 Screening compound: ethyl 4-(5-{[(5Z)-6-oxo-2-[(1E)-2-phenylethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}furan-2-yl)benzoate
Y070-3027 Screening compound: ethyl 4-(5-{[(5Z)-6-oxo-2-[(1E)-2-phenylethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3027
ethyl 4-(5-{[(5Z)-6-oxo-2-[(1E)-2-phenylethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}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

Y070-3027

Molecular Formula

C26H19N3O4S (C26 H19 N3 O4 S)

Compound Name

ethyl 4-(5-{[(5Z)-6-oxo-2-[(1E)-2-phenylethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 4-(5-{[(5Z)-6-oxo-2-[(1E)-2-phenylethenyl]-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C2\Sc3nc(/C=C/c4ccccc4)nn3C2=O)o1)=O

InChI

InChI=1S/C26H19N3O4S/c1-2-32-25(31)19-11-9-18(10-12-19)21-14-13-20(33-21)16-22-24(30)29-26(34-22)27-23(28-29)15-8-17-6-4-3-5-7-17/h3-16H,2H2,1H3

InChI Key

KAOVDFQLFHGQDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04192332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.126

Distribution Coefficient, logD

6.126

Water Solubility, LogSw

-5.71

Polar Surface Area

66.510

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

Y070-3027 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y070-3027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3027?
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What is the minimum amount of Y070-3027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3027
  • 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 Y070-3027 available by request