Y070-0501 Screening compound: 3-[(5Z)-5-[(4-methylphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]naphthalen-2-yl acetate

Y070-0501 Screening compound: 3-[(5Z)-5-[(4-methylphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]naphthalen-2-yl acetate
Y070-0501 Screening compound: 3-[(5Z)-5-[(4-methylphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]naphthalen-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0501
3-[(5Z)-5-[(4-methylphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]naphthalen-2-yl acetate

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

Y070-0501

Molecular Formula

C24H17N3O3S (C24 H17 N3 O3 S)

Compound Name

3-[(5Z)-5-[(4-methylphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]naphthalen-2-yl acetate

IUPAC name

3-[(5Z)-5-[(4-methylphenyl)methylidene]-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-2-yl]naphthalen-2-yl acetate

SMILES

CC(Oc1cc2ccccc2cc1-c1nn(C(/C(/S2)=C/c3ccc(C)cc3)=O)c2n1)=O

InChI

InChI=1S/C24H17N3O3S/c1-14-7-9-16(10-8-14)11-21-23(29)27-24(31-21)25-22(26-27)19-12-17-5-3-4-6-18(17)13-20(19)30-15(2)28/h3-13H,1-2H3

InChI Key

VEGSRDDDQKZGQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03463031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.221

Distribution Coefficient, logD

5.221

Water Solubility, LogSw

-6.00

Polar Surface Area

57.762

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

Y070-0501 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0501?
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What is the minimum amount of Y070-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0501
  • 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 Y070-0501 available by request