5629-0637 Screening compound: 2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

5629-0637 Screening compound: 2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate
5629-0637 Screening compound: 2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-0637
2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]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

5629-0637

Molecular Formula

C21H17N3O5S (C21 H17 N3 O5 S)

Compound Name

2-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-2-yl]phenyl acetate

IUPAC name

2-[(5Z)-5-[(25-dimethoxyphenyl)methylidene]-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-2-yl]phenyl acetate

SMILES

CC(Oc(cccc1)c1-c1nn(C(/C(/S2)=C/c(cc(cc3)OC)c3OC)=O)c2n1)=O

InChI

InChI=1S/C21H17N3O5S/c1-12(25)29-17-7-5-4-6-15(17)19-22-21-24(23-19)20(26)18(30-21)11-13-10-14(27-2)8-9-16(13)28-3/h4-11H,1-3H3

InChI Key

PODUQSHTPYZOLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

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

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-4.12

Polar Surface Area

73.208

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 5629-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0637?
Check Price and Availability of 5629-0637, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5629-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0637
  • 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 5629-0637 available by request