G717-1952 Screening compound: 2-ethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)butanamide

G717-1952 Screening compound: 2-ethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)butanamide
G717-1952 Screening compound: 2-ethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-1952
2-ethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)butanamide

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

G717-1952

Molecular Formula

C18H26N4O (C18 H26 N4 O)

Compound Name

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

IUPAC name

2-ethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-124-triazol-3-yl}ethyl)butanamide

SMILES

CCC(CC)C(NCCc1n[nH]c(Cc2ccc(C)cc2)n1)=O

InChI

InChI=1S/C18H26N4O/c1-4-15(5-2)18(23)19-11-10-16-20-17(22-21-16)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,21,22)

InChI Key

PPDOMHHAHQNFRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.381

Water Solubility, LogSw

-3.37

Polar Surface Area

60.531

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with G717-1952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-1952?
Check Price and Availability of G717-1952, 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 G717-1952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-1952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-1952
  • 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 G717-1952 available by request