G717-2045F Screening compound: N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3,5-dimethylbenzamide

G717-2045F Screening compound: N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3,5-dimethylbenzamide
G717-2045F Screening compound: N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3,5-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-2045F
N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3,5-dimethylbenzamide

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

G717-2045F

Molecular Formula

C20H21ClN4O (C20 H21 ClN4 O)

Compound Name

N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3,5-dimethylbenzamide

IUPAC name

N-(2-{5-[(4-chlorophenyl)methyl]-1H-124-triazol-3-yl}ethyl)-35-dimethylbenzamide

SMILES

Cc1cc(C(NCCc2n[nH]c(Cc(cc3)ccc3Cl)n2)=O)cc(C)c1

InChI

InChI=1S/C20H21ClN4O/c1-13-9-14(2)11-16(10-13)20(26)22-8-7-18-23-19(25-24-18)12-15-3-5-17(21)6-4-15/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,26)(H,23,24,25)

InChI Key

NCGDYEACWOUIPZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.151

Water Solubility, LogSw

-4.45

Polar Surface Area

60.259

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G717-2045F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-2045F?
Check Price and Availability of G717-2045F, 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 G717-2045F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-2045F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-2045F
  • 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 G717-2045F available by request