F152-0186 Screening compound: (2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

F152-0186 Screening compound: (2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
F152-0186 Screening compound: (2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F152-0186
(2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-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

F152-0186

Molecular Formula

C20H20ClN3O3 (C20 H20 ClN3 O3)

Compound Name

(2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

(25-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-123-triazole-4-carboxylate

SMILES

Cc1c(C(OCc2c(C)ccc(C)c2)=O)nnn1-c(cc1)cc(Cl)c1OC

InChI

InChI=1S/C20H20ClN3O3/c1-12-5-6-13(2)15(9-12)11-27-20(25)19-14(3)24(23-22-19)16-7-8-18(26-4)17(21)10-16/h5-10H,11H2,1-4H3

InChI Key

AVIRBFULPPLUKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.46

Polar Surface Area

55.570

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F152-0186 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F152-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F152-0186?
Check Price and Availability of F152-0186, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F152-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F152-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F152-0186
  • 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 F152-0186 available by request