M213-0656 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,4-dimethylphenyl)-1,2,4-thiadiazol-5-amine

M213-0656 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,4-dimethylphenyl)-1,2,4-thiadiazol-5-amine
M213-0656 Screening compound: 3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,4-dimethylphenyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-0656
3-[1-(3,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,4-dimethylphenyl)-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

M213-0656

Molecular Formula

C21H22N6O2S (C21 H22 N6 O2 S)

Compound Name

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

IUPAC name

3-[1-(35-dimethoxyphenyl)-5-methyl-1H-123-triazol-4-yl]-N-(34-dimethylphenyl)-124-thiadiazol-5-amine

SMILES

Cc1c(-c2nsc(Nc3cc(C)c(C)cc3)n2)nnn1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C21H22N6O2S/c1-12-6-7-15(8-13(12)2)22-21-23-20(25-30-21)19-14(3)27(26-24-19)16-9-17(28-4)11-18(10-16)29-5/h6-11H,1-5H3,(H,22,23,25)

InChI Key

JDJNAAIAUDIXFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.519

Distribution Coefficient, logD

5.519

Water Solubility, LogSw

-5.54

Polar Surface Area

71.669

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M213-0656 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 M213-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-0656?
Check Price and Availability of M213-0656, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M213-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-0656
  • 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 M213-0656 available by request