M213-0458 Screening compound: 3-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-amine

M213-0458 Screening compound: 3-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-amine
M213-0458 Screening compound: 3-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-0458
3-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-ethoxyphenyl)-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

M213-0458

Molecular Formula

C19H16ClFN6OS (C19 H16 ClFN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1Nc1nc(-c2c(C)n(-c(cc3)cc(Cl)c3F)nn2)ns1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-5.64

Polar Surface Area

63.705

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

M213-0458 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M213-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-0458?
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What is the minimum amount of M213-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-0458
  • 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 M213-0458 available by request