M213-0479 Screening compound: 3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-1,2,4-thiadiazol-5-amine

M213-0479 Screening compound: 3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-1,2,4-thiadiazol-5-amine
M213-0479 Screening compound: 3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-0479
3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-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

M213-0479

Molecular Formula

C20H20N6OS (C20 H20 N6 OS)

Compound Name

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

IUPAC name

3-[1-(3-ethylphenyl)-5-methyl-1H-123-triazol-4-yl]-N-(2-methoxyphenyl)-124-thiadiazol-5-amine

SMILES

CCc1cccc(-n2nnc(-c3nsc(Nc(cccc4)c4OC)n3)c2C)c1

InChI

InChI=1S/C20H20N6OS/c1-4-14-8-7-9-15(12-14)26-13(2)18(23-25-26)19-22-20(28-24-19)21-16-10-5-6-11-17(16)27-3/h5-12H,4H2,1-3H3,(H,21,22,24)

InChI Key

TXHKCIUHINIZPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

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

5.075

Distribution Coefficient, logD

5.075

Water Solubility, LogSw

-4.85

Polar Surface Area

63.514

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M213-0479 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 M213-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-0479?
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What is the minimum amount of M213-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-0479
  • 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 M213-0479 available by request