Y070-4481 Screening compound: (5Z)-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5-[(5-methylfuran-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

Y070-4481 Screening compound: (5Z)-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5-[(5-methylfuran-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
Y070-4481 Screening compound: (5Z)-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5-[(5-methylfuran-2-yl)methylidene]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4481
(5Z)-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5-[(5-methylfuran-2-yl)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

Y070-4481

Molecular Formula

C19H15N3O3S (C19 H15 N3 O3 S)

Compound Name

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

IUPAC name

(5Z)-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5-[(5-methylfuran-2-yl)methylidene]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

Cc1ccc(/C=C2\Sc3nc(/C=C/c(cc4)ccc4OC)nn3C2=O)o1

InChI

InChI=1S/C19H15N3O3S/c1-12-3-7-15(25-12)11-16-18(23)22-19(26-16)20-17(21-22)10-6-13-4-8-14(24-2)9-5-13/h3-11H,1-2H3

InChI Key

OSWOROFIKCMSQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04179384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.28

Polar Surface Area

52.993

Acid Dissociation Constant (pKa)

33.22

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

Y070-4481 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 Y070-4481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4481?
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What is the minimum amount of Y070-4481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4481
  • 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 Y070-4481 available by request