M213-1183 Screening compound: 3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine

M213-1183 Screening compound: 3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
M213-1183 Screening compound: 3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-1183
3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,5-dimethoxyphenyl)-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

M213-1183

Molecular Formula

C19H16BrFN6O2S (C19 H16 BrFN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nsc(Nc3cc(OC)cc(OC)c3)n2)nnn1-c(ccc(Br)c1)c1F

InChI

InChI=1S/C19H16BrFN6O2S/c1-10-17(24-26-27(10)16-5-4-11(20)6-15(16)21)18-23-19(30-25-18)22-12-7-13(28-2)9-14(8-12)29-3/h4-9H,1-3H3,(H,22,23,25)

InChI Key

DIWMFPIQTQKTCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.34

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

5.065

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-4.86

Polar Surface Area

71.368

Acid Dissociation Constant (pKa)

17.88

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

M213-1183 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 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
  • 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 M213-1183 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of M213-1183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-1183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-1183
  • 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 M213-1183 available by request