G717-5559 Screening compound: N-(2-{5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethylbenzamide

G717-5559 Screening compound: N-(2-{5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethylbenzamide
G717-5559 Screening compound: N-(2-{5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-5559
N-(2-{5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-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

G717-5559

Molecular Formula

C20H21ClN4O (C20 H21 ClN4 O)

Compound Name

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

IUPAC name

N-(2-{5-[(3-chlorophenyl)methyl]-1H-124-triazol-3-yl}ethyl)-25-dimethylbenzamide

SMILES

Cc1cc(C(NCCc2n[nH]c(Cc3cccc(Cl)c3)n2)=O)c(C)cc1

InChI

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

InChI Key

ITDYFUQUYNXFFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153722

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

4.565

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.56

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 G717-5559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-5559?
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What is the minimum amount of G717-5559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-5559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-5559
  • 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 G717-5559 available by request