5629-0987 Screening compound: methyl 4-{[(5Z)-2-(4-methoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate

5629-0987 Screening compound: methyl 4-{[(5Z)-2-(4-methoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate
5629-0987 Screening compound: methyl 4-{[(5Z)-2-(4-methoxyphenyl)-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 5629-0987
methyl 4-{[(5Z)-2-(4-methoxyphenyl)-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

5629-0987

Molecular Formula

C20H15N3O4S (C20 H15 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(/C=C2\Sc3nc(-c(cc4)ccc4OC)nn3C2=O)cc1)=O

InChI

InChI=1S/C20H15N3O4S/c1-26-15-9-7-13(8-10-15)17-21-20-23(22-17)18(24)16(28-20)11-12-3-5-14(6-4-12)19(25)27-2/h3-11H,1-2H3

InChI Key

RLTAHBJTASMZGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-4.30

Polar Surface Area

65.914

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 5629-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0987?
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What is the minimum amount of 5629-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0987
  • 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 5629-0987 available by request