C549-0209 Screening compound: 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

C549-0209 Screening compound: 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
C549-0209 Screening compound: 5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C549-0209
5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

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

C549-0209

Molecular Formula

C17H15ClFN5O2 (C17 H15 ClFN5 O2)

Compound Name

5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-(5-chloro-2-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(c1c(N)n(Cc(cc2)ccc2F)nn1)=O

InChI

InChI=1S/C17H15ClFN5O2/c1-26-14-7-4-11(18)8-13(14)21-17(25)15-16(20)24(23-22-15)9-10-2-5-12(19)6-3-10/h2-8H,9,20H2,1H3,(H,21,25)

InChI Key

BBWLJRYQVYKDJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.43

Polar Surface Area

76.220

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C549-0209 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 C549-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C549-0209?
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What is the minimum amount of C549-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C549-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C549-0209
  • 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 C549-0209 available by request