M213-1168 Screening compound: 3-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine

M213-1168 Screening compound: 3-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
M213-1168 Screening compound: 3-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-1168
3-[1-(2,5-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(4-methylphenyl)-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

M213-1168

Molecular Formula

C18H14F2N6S (C18 H14 F2 N6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nsc(Nc3ccc(C)cc3)n2)nnn1-c(cc(cc1)F)c1F

InChI

InChI=1S/C18H14F2N6S/c1-10-3-6-13(7-4-10)21-18-22-17(24-27-18)16-11(2)26(25-23-16)15-9-12(19)5-8-14(15)20/h3-9H,1-2H3,(H,21,22,24)

InChI Key

SXYDWTPLARKBGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.64

Polar Surface Area

56.281

Acid Dissociation Constant (pKa)

19.72

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M213-1168 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M213-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-1168?
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What is the minimum amount of M213-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-1168
  • 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 M213-1168 available by request