6187-2100 Screening compound: methyl 4-{[(5Z)-2-(3-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate

6187-2100 Screening compound: methyl 4-{[(5Z)-2-(3-methylphenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}benzoate
6187-2100 Screening compound: methyl 4-{[(5Z)-2-(3-methylphenyl)-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 6187-2100
methyl 4-{[(5Z)-2-(3-methylphenyl)-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

6187-2100

Molecular Formula

C20H15N3O3S (C20 H15 N3 O3 S)

Compound Name

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

IUPAC name

methyl 4-{[(5Z)-2-(3-methylphenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}benzoate

SMILES

Cc1cccc(-c2nn(C(/C(/S3)=C/c(cc4)ccc4C(OC)=O)=O)c3n2)c1

InChI

InChI=1S/C20H15N3O3S/c1-12-4-3-5-15(10-12)17-21-20-23(22-17)18(24)16(27-20)11-13-6-8-14(9-7-13)19(25)26-2/h3-11H,1-2H3

InChI Key

MZYNAOPSDJKUDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04020895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.551

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.56

Polar Surface Area

58.370

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 6187-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2100?
Check Price and Availability of 6187-2100, 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 6187-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2100
  • 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 6187-2100 available by request