5629-0472 Screening compound: 2-methoxy-4-{[(5Z)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

5629-0472 Screening compound: 2-methoxy-4-{[(5Z)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate
5629-0472 Screening compound: 2-methoxy-4-{[(5Z)-6-oxo-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 5629-0472
2-methoxy-4-{[(5Z)-6-oxo-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

5629-0472

Molecular Formula

C14H11N3O4S (C14 H11 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc(ccc(/C=C1\Sc2ncnn2C1=O)c1)c1OC)=O

InChI

InChI=1S/C14H11N3O4S/c1-8(18)21-10-4-3-9(5-11(10)20-2)6-12-13(19)17-14(22-12)15-7-16-17/h3-7H,1-2H3

InChI Key

HTYUBHAYUSEDMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03532978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-2.21

Polar Surface Area

66.877

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 5629-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-0472?
Check Price and Availability of 5629-0472, 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 5629-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-0472
  • 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 5629-0472 available by request