Y070-3116 Screening compound: (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

Y070-3116 Screening compound: (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
Y070-3116 Screening compound: (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3116
(5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-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

Y070-3116

Molecular Formula

C24H24N4O2S (C24 H24 N4 O2 S)

Compound Name

(5Z)-5-{[4-(diethylamino)phenyl]methylidene}-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

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

SMILES

CCN(CC)c1ccc(/C=C2\Sc3nc(/C=C/c(cc4)ccc4OC)nn3C2=O)cc1

InChI

InChI=1S/C24H24N4O2S/c1-4-27(5-2)19-11-6-18(7-12-19)16-21-23(29)28-24(31-21)25-22(26-28)15-10-17-8-13-20(30-3)14-9-17/h6-16H,4-5H2,1-3H3

InChI Key

QQSSHYFNNJHFPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18076171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-4.68

Polar Surface Area

48.466

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

Y070-3116 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 Y070-3116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3116?
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What is the minimum amount of Y070-3116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3116
  • 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 Y070-3116 available by request