5629-0701 Screening compound: 2-bromo-4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl acetate

5629-0701 Screening compound: 2-bromo-4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl acetate
5629-0701 Screening compound: 2-bromo-4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0701
2-bromo-4-{[(5Z)-2-(4-ethoxyphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}-6-methoxyphenyl 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

5629-0701

Molecular Formula

C22H18BrN3O5S (C22 H18 BrN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nn(C(/C(/S2)=C/c(cc3OC)cc(Br)c3OC(C)=O)=O)c2n1

InChI

InChI=1S/C22H18BrN3O5S/c1-4-30-15-7-5-14(6-8-15)20-24-22-26(25-20)21(28)18(32-22)11-13-9-16(23)19(31-12(2)27)17(10-13)29-3/h5-11H,4H2,1-3H3

InChI Key

JKZMAAGEZYRQGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.53

Polar Surface Area

72.874

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5629-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0701?
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What is the minimum amount of 5629-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0701
  • 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 5629-0701 available by request