C549-0124 Screening compound: 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

C549-0124 Screening compound: 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
C549-0124 Screening compound: 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C549-0124
5-amino-1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-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

C549-0124

Molecular Formula

C18H18ClN5O3 (C18 H18 ClN5 O3)

Compound Name

5-amino-1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-[(3-chlorophenyl)methyl]-N-(24-dimethoxyphenyl)-1H-123-triazole-4-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(c1c(N)n(Cc2cccc(Cl)c2)nn1)=O

InChI

InChI=1S/C18H18ClN5O3/c1-26-13-6-7-14(15(9-13)27-2)21-18(25)16-17(20)24(23-22-16)10-11-4-3-5-12(19)8-11/h3-9H,10,20H2,1-2H3,(H,21,25)

InChI Key

AHPMEKGHDPPAHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-3.54

Polar Surface Area

83.764

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C549-0124 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 C549-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C549-0124?
Check Price and Availability of C549-0124, 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 C549-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C549-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C549-0124
  • 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 C549-0124 available by request