M213-0431 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-amine

M213-0431 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-amine
M213-0431 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-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 M213-0431
3-[1-(3,5-dimethoxyphenyl)-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

M213-0431

Molecular Formula

C21H22N6O3S (C21 H22 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1Nc1nc(-c2c(C)n(-c3cc(OC)cc(OC)c3)nn2)ns1

InChI

InChI=1S/C21H22N6O3S/c1-5-30-16-8-6-14(7-9-16)22-21-23-20(25-31-21)19-13(2)27(26-24-19)15-10-17(28-3)12-18(11-15)29-4/h6-12H,5H2,1-4H3,(H,22,23,25)

InChI Key

ORORGVLMPTZFDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-4.61

Polar Surface Area

78.793

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M213-0431 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M213-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-0431?
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What is the minimum amount of M213-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-0431
  • 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 M213-0431 available by request