M213-1096 Screening compound: 3-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine

M213-1096 Screening compound: 3-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
M213-1096 Screening compound: 3-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-1096
3-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(3,4-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

M213-1096

Molecular Formula

C19H16F2N6O2S (C19 H16 F2 N6 O2 S)

Compound Name

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

IUPAC name

3-[1-(25-difluorophenyl)-5-methyl-1H-123-triazol-4-yl]-N-(34-dimethoxyphenyl)-124-thiadiazol-5-amine

SMILES

Cc1c(-c2nsc(Nc(cc3)cc(OC)c3OC)n2)nnn1-c(cc(cc1)F)c1F

InChI

InChI=1S/C19H16F2N6O2S/c1-10-17(24-26-27(10)14-8-11(20)4-6-13(14)21)18-23-19(30-25-18)22-12-5-7-15(28-2)16(9-12)29-3/h4-9H,1-3H3,(H,22,23,25)

InChI Key

SKJQHWPMGQCFBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.44

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

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.16

Polar Surface Area

71.541

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

M213-1096 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M213-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-1096?
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What is the minimum amount of M213-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-1096
  • 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 M213-1096 available by request