M213-0488 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-1,2,4-thiadiazol-5-amine

M213-0488 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-1,2,4-thiadiazol-5-amine
M213-0488 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-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 M213-0488
3-[1-(3,5-dimethoxyphenyl)-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

M213-0488

Molecular Formula

C20H20N6O3S (C20 H20 N6 O3 S)

Compound Name

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

IUPAC name

3-[1-(35-dimethoxyphenyl)-5-methyl-1H-123-triazol-4-yl]-N-(2-methoxyphenyl)-124-thiadiazol-5-amine

SMILES

Cc1c(-c2nsc(Nc(cccc3)c3OC)n2)nnn1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C20H20N6O3S/c1-12-18(23-25-26(12)13-9-14(27-2)11-15(10-13)28-3)19-22-20(30-24-19)21-16-7-5-6-8-17(16)29-4/h5-11H,1-4H3,(H,21,22,24)

InChI Key

WHSHTBUFXXECJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.43

Polar Surface Area

78.602

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M213-0488 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M213-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-0488?
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What is the minimum amount of M213-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-0488
  • 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 M213-0488 available by request