M213-0516 Screening compound: 3-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-1,2,4-thiadiazol-5-amine

M213-0516 Screening compound: 3-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-1,2,4-thiadiazol-5-amine
M213-0516 Screening compound: 3-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-1,2,4-thiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M213-0516
3-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-(2-methoxyphenyl)-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

M213-0516

Molecular Formula

C18H14ClFN6OS (C18 H14 ClFN6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nsc(Nc(cccc3)c3OC)n2)nnn1-c(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H14ClFN6OS/c1-10-16(23-25-26(10)11-7-8-13(20)12(19)9-11)17-22-18(28-24-17)21-14-5-3-4-6-15(14)27-2/h3-9H,1-2H3,(H,21,22,24)

InChI Key

XUVKUPBUNRGWQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-5.00

Polar Surface Area

63.514

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M213-0516 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 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 M213-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M213-0516?
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What is the minimum amount of M213-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M213-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M213-0516
  • 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 M213-0516 available by request