5629-0460 Screening compound: 2-ethoxy-4-{[(5Z)-6-oxo-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

5629-0460 Screening compound: 2-ethoxy-4-{[(5Z)-6-oxo-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate
5629-0460 Screening compound: 2-ethoxy-4-{[(5Z)-6-oxo-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0460
2-ethoxy-4-{[(5Z)-6-oxo-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl 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

5629-0460

Molecular Formula

C20H16N4O4S (C20 H16 N4 O4 S)

Compound Name

2-ethoxy-4-{[(5Z)-6-oxo-2-(pyridin-4-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

IUPAC name

2-ethoxy-4-{[(5Z)-6-oxo-2-(pyridin-4-yl)-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}phenyl acetate

SMILES

CCOc(cc(/C=C1\Sc2nc(-c3ccncc3)nn2C1=O)cc1)c1OC(C)=O

InChI

InChI=1S/C20H16N4O4S/c1-3-27-16-10-13(4-5-15(16)28-12(2)25)11-17-19(26)24-20(29-17)22-18(23-24)14-6-8-21-9-7-14/h4-11H,3H2,1-2H3

InChI Key

GJJCMVXGEYFOPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03532966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.500

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-2.61

Polar Surface Area

74.672

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 5629-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0460?
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What is the minimum amount of 5629-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0460
  • 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 5629-0460 available by request