G717-2699 Screening compound: N-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-4-tert-butylbenzamide

G717-2699 Screening compound: N-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-4-tert-butylbenzamide
G717-2699 Screening compound: N-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-2699
N-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-4-tert-butylbenzamide

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

G717-2699

Molecular Formula

C22H26N4O (C22 H26 N4 O)

Compound Name

N-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-4-tert-butylbenzamide

IUPAC name

N-[2-(5-benzyl-1H-124-triazol-3-yl)ethyl]-4-tert-butylbenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NCCc1n[nH]c(Cc2ccccc2)n1)=O

InChI

InChI=1S/C22H26N4O/c1-22(2,3)18-11-9-17(10-12-18)21(27)23-14-13-19-24-20(26-25-19)15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,23,27)(H,24,25,26)

InChI Key

FIMWKSGYYAQFSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.37

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

31.80

G717-2699 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G717-2699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-2699?
Check Price and Availability of G717-2699, 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 G717-2699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-2699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-2699
  • 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 G717-2699 available by request