M213-1079 Screening compound: N-(3,4-dimethoxyphenyl)-3-[1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-amine

M213-1079 Screening compound: N-(3,4-dimethoxyphenyl)-3-[1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-amine
M213-1079 Screening compound: N-(3,4-dimethoxyphenyl)-3-[1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-1079
N-(3,4-dimethoxyphenyl)-3-[1-(2-methoxyphenyl)-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

M213-1079

Molecular Formula

C20H20N6O3S (C20 H20 N6 O3 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-3-[1-(2-methoxyphenyl)-5-methyl-1H-123-triazol-4-yl]-124-thiadiazol-5-amine

SMILES

Cc1c(-c2nsc(Nc(cc3)cc(OC)c3OC)n2)nnn1-c(cccc1)c1OC

InChI

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

InChI Key

ZNBWMKXNYIXLSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534270

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

3.516

Distribution Coefficient, logD

3.516

Water Solubility, LogSw

-3.86

Polar Surface Area

79.172

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M213-1079 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M213-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-1079?
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What is the minimum amount of M213-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-1079
  • 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 M213-1079 available by request