F152-0548 Screening compound: (2,5-dimethylphenyl)methyl 1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

F152-0548 Screening compound: (2,5-dimethylphenyl)methyl 1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
F152-0548 Screening compound: (2,5-dimethylphenyl)methyl 1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F152-0548
(2,5-dimethylphenyl)methyl 1-(3-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

F152-0548

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(OCc2c(C)ccc(C)c2)=O)nnn1-c1cc(OC)ccc1

InChI

InChI=1S/C20H21N3O3/c1-13-8-9-14(2)16(10-13)12-26-20(24)19-15(3)23(22-21-19)17-6-5-7-18(11-17)25-4/h5-11H,12H2,1-4H3

InChI Key

CLRSPHXFVMEQMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

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

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.35

Polar Surface Area

55.483

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F152-0548 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 F152-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F152-0548?
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What is the minimum amount of F152-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F152-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F152-0548
  • 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 F152-0548 available by request