6672-0325 Screening compound: methyl 4-{[(5Z)-2-(furan-2-yl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate

6672-0325 Screening compound: methyl 4-{[(5Z)-2-(furan-2-yl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate
6672-0325 Screening compound: methyl 4-{[(5Z)-2-(furan-2-yl)-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 6672-0325
methyl 4-{[(5Z)-2-(furan-2-yl)-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

6672-0325

Molecular Formula

C17H11N3O4S (C17 H11 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(/C=C2\Sc3nc(-c4ccco4)nn3C2=O)cc1)=O

InChI

InChI=1S/C17H11N3O4S/c1-23-16(22)11-6-4-10(5-7-11)9-13-15(21)20-17(25-13)18-14(19-20)12-3-2-8-24-12/h2-9H,1H3

InChI Key

AQHKXFZTZOXKER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.36

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

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.29

Polar Surface Area

66.948

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 6672-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0325?
Check Price and Availability of 6672-0325, 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 6672-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0325
  • 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 6672-0325 available by request