M213-0422 Screening compound: N-(4-ethoxyphenyl)-3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-amine

M213-0422 Screening compound: N-(4-ethoxyphenyl)-3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-amine
M213-0422 Screening compound: N-(4-ethoxyphenyl)-3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-0422
N-(4-ethoxyphenyl)-3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-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

M213-0422

Molecular Formula

C21H22N6OS (C21 H22 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(-n2nnc(-c3nsc(Nc(cc4)ccc4OCC)n3)c2C)c1

InChI

InChI=1S/C21H22N6OS/c1-4-15-7-6-8-17(13-15)27-14(3)19(24-26-27)20-23-21(29-25-20)22-16-9-11-18(12-10-16)28-5-2/h6-13H,4-5H2,1-3H3,(H,22,23,25)

InChI Key

AVIAJVJUGYEYBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.50

Polar Surface Area

63.705

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M213-0422 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M213-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-0422?
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What is the minimum amount of M213-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-0422
  • 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 M213-0422 available by request