Y070-2648 Screening compound: (5Z)-2-[(1E)-2-phenylethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

Y070-2648 Screening compound: (5Z)-2-[(1E)-2-phenylethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
Y070-2648 Screening compound: (5Z)-2-[(1E)-2-phenylethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2648
(5Z)-2-[(1E)-2-phenylethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

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

Y070-2648

Molecular Formula

C22H19N3OS (C22 H19 N3 OS)

Compound Name

(5Z)-2-[(1E)-2-phenylethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-2-[(1E)-2-phenylethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CC(C)c1ccc(/C=C2\Sc3nc(/C=C/c4ccccc4)nn3C2=O)cc1

InChI

InChI=1S/C22H19N3OS/c1-15(2)18-11-8-17(9-12-18)14-19-21(26)25-22(27-19)23-20(24-25)13-10-16-6-4-3-5-7-16/h3-15H,1-2H3

InChI Key

KDCANHNDDSHDAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18175388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.550

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-5.56

Polar Surface Area

38.186

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

Y070-2648 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-2648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2648?
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What is the minimum amount of Y070-2648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2648
  • 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 Y070-2648 available by request