F152-0316 Screening compound: (3-chlorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate

F152-0316 Screening compound: (3-chlorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
F152-0316 Screening compound: (3-chlorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F152-0316
(3-chlorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate

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

F152-0316

Molecular Formula

C18H16ClN3O2S (C18 H16 ClN3 O2 S)

Compound Name

(3-chlorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate

IUPAC name

(3-chlorophenyl)methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-123-triazole-4-carboxylate

SMILES

Cc1c(C(OCc2cccc(Cl)c2)=O)nnn1-c1cc(SC)ccc1

InChI

InChI=1S/C18H16ClN3O2S/c1-12-17(18(23)24-11-13-5-3-6-14(19)9-13)20-21-22(12)15-7-4-8-16(10-15)25-2/h3-10H,11H2,1-2H3

InChI Key

PWWVYRBLRJAAIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.125

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.46

Polar Surface Area

47.939

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F152-0316 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F152-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F152-0316?
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What is the minimum amount of F152-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F152-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F152-0316
  • 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 F152-0316 available by request