Y070-2938 Screening compound: (5Z)-5-[(2H-chromen-3-yl)methylidene]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

Y070-2938 Screening compound: (5Z)-5-[(2H-chromen-3-yl)methylidene]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
Y070-2938 Screening compound: (5Z)-5-[(2H-chromen-3-yl)methylidene]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2938
(5Z)-5-[(2H-chromen-3-yl)methylidene]-2-[(1E)-2-(thiophen-2-yl)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

Y070-2938

Molecular Formula

C20H13N3O2S2 (C20 H13 N3 O2 S2)

Compound Name

(5Z)-5-[(2H-chromen-3-yl)methylidene]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-[(2H-chromen-3-yl)methylidene]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

O=C1n2nc(/C=C/c3cccs3)nc2S/C1=C\C1=Cc(cccc2)c2OC1

InChI

InChI=1S/C20H13N3O2S2/c24-19-17(11-13-10-14-4-1-2-6-16(14)25-12-13)27-20-21-18(22-23(19)20)8-7-15-5-3-9-26-15/h1-11H,12H2

InChI Key

OUNWQAHYTZVGPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18076097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.53

Polar Surface Area

47.575

Acid Dissociation Constant (pKa)

33.72

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

Y070-2938 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-2938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2938?
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What is the minimum amount of Y070-2938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2938
  • 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 Y070-2938 available by request