Y070-3021 Screening compound: methyl 4-{[(5Z)-6-oxo-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate

Y070-3021 Screening compound: methyl 4-{[(5Z)-6-oxo-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate
Y070-3021 Screening compound: methyl 4-{[(5Z)-6-oxo-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3021
methyl 4-{[(5Z)-6-oxo-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate

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

Y070-3021

Molecular Formula

C19H13N3O3S2 (C19 H13 N3 O3 S2)

Compound Name

methyl 4-{[(5Z)-6-oxo-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(5Z)-6-oxo-2-[(1E)-2-(thiophen-2-yl)ethenyl]-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}benzoate

SMILES

COC(c1ccc(/C=C2\Sc3nc(/C=C/c4cccs4)nn3C2=O)cc1)=O

InChI

InChI=1S/C19H13N3O3S2/c1-25-18(24)13-6-4-12(5-7-13)11-15-17(23)22-19(27-15)20-16(21-22)9-8-14-3-2-10-26-14/h2-11H,1H3

InChI Key

QBWQMHXAIKGISF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04167141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-4.12

Polar Surface Area

60.379

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

Y070-3021 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 Y070-3021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3021?
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What is the minimum amount of Y070-3021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3021
  • 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 Y070-3021 available by request