M213-1071 Screening compound: N-(4-methoxyphenyl)-3-{5-methyl-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-amine

M213-1071 Screening compound: N-(4-methoxyphenyl)-3-{5-methyl-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-amine
M213-1071 Screening compound: N-(4-methoxyphenyl)-3-{5-methyl-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-1071
N-(4-methoxyphenyl)-3-{5-methyl-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-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

M213-1071

Molecular Formula

C19H15F3N6OS (C19 H15 F3 N6 OS)

Compound Name

N-(4-methoxyphenyl)-3-{5-methyl-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-amine

IUPAC name

N-(4-methoxyphenyl)-3-{5-methyl-1-[2-(trifluoromethyl)phenyl]-1H-123-triazol-4-yl}-124-thiadiazol-5-amine

SMILES

Cc1c(-c2nsc(Nc(cc3)ccc3OC)n2)nnn1-c1c(C(F)(F)F)cccc1

InChI

InChI=1S/C19H15F3N6OS/c1-11-16(25-27-28(11)15-6-4-3-5-14(15)19(20,21)22)17-24-18(30-26-17)23-12-7-9-13(29-2)10-8-12/h3-10H,1-2H3,(H,23,24,26)

InChI Key

HYJIPNNPQWKPNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.68

Polar Surface Area

63.824

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

M213-1071 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M213-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-1071?
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What is the minimum amount of M213-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-1071
  • 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 M213-1071 available by request