Y070-4534 Screening compound: methyl 4-{[(5Z)-2-[(1E)-2-(4-fluorophenyl)ethenyl]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate

Y070-4534 Screening compound: methyl 4-{[(5Z)-2-[(1E)-2-(4-fluorophenyl)ethenyl]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate
Y070-4534 Screening compound: methyl 4-{[(5Z)-2-[(1E)-2-(4-fluorophenyl)ethenyl]-6-oxo-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 Y070-4534
methyl 4-{[(5Z)-2-[(1E)-2-(4-fluorophenyl)ethenyl]-6-oxo-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

Y070-4534

Molecular Formula

C21H14FN3O3S (C21 H14 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(/C=C2\Sc3nc(/C=C/c(cc4)ccc4F)nn3C2=O)cc1)=O

InChI

InChI=1S/C21H14FN3O3S/c1-28-20(27)15-7-2-14(3-8-15)12-17-19(26)25-21(29-17)23-18(24-25)11-6-13-4-9-16(22)10-5-13/h2-12H,1H3

InChI Key

ZWJKAXLLSSWEDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04168271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

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

4.327

Distribution Coefficient, logD

4.327

Water Solubility, LogSw

-4.50

Polar Surface Area

59.360

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

Y070-4534 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 Y070-4534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4534?
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What is the minimum amount of Y070-4534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4534
  • 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 Y070-4534 available by request