M213-0331 Screening compound: 3-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine

M213-0331 Screening compound: 3-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
M213-0331 Screening compound: 3-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-0331
3-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine

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

M213-0331

Molecular Formula

C18H15FN6OS (C18 H15 FN6 OS)

Compound Name

3-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine

IUPAC name

3-[1-(4-fluorophenyl)-5-methyl-1H-123-triazol-4-yl]-N-(4-methoxyphenyl)-124-thiadiazol-5-amine

SMILES

Cc1c(-c2nsc(Nc(cc3)ccc3OC)n2)nnn1-c(cc1)ccc1F

InChI

InChI=1S/C18H15FN6OS/c1-11-16(22-24-25(11)14-7-3-12(19)4-8-14)17-21-18(27-23-17)20-13-5-9-15(26-2)10-6-13/h3-10H,1-2H3,(H,20,21,23)

InChI Key

ZPQAMKQFDKTZCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.33

Polar Surface Area

64.125

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M213-0331 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M213-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-0331?
Check Price and Availability of M213-0331, 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 M213-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-0331
  • 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 M213-0331 available by request