Y070-3111 Screening compound: (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-[(1E)-2-phenylethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

Y070-3111 Screening compound: (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-[(1E)-2-phenylethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
Y070-3111 Screening compound: (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-[(1E)-2-phenylethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3111
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-[(1E)-2-phenylethenyl]-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

Y070-3111

Molecular Formula

C18H13N3O2S (C18 H13 N3 O2 S)

Compound Name

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

IUPAC name

(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-[(1E)-2-phenylethenyl]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

Cc1ccc(/C=C2\Sc3nc(/C=C/c4ccccc4)nn3C2=O)o1

InChI

InChI=1S/C18H13N3O2S/c1-12-7-9-14(23-12)11-15-17(22)21-18(24-15)19-16(20-21)10-8-13-5-3-2-4-6-13/h2-11H,1H3

InChI Key

LLIVTIOBBCAFDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18076169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

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

4.055

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.22

Polar Surface Area

45.449

Acid Dissociation Constant (pKa)

33.22

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

Y070-3111 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 Y070-3111 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y070-3111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3111
  • 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 Y070-3111 available by request