G717-1908 Screening compound: (2E)-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-phenylprop-2-enamide

G717-1908 Screening compound: (2E)-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-phenylprop-2-enamide
G717-1908 Screening compound: (2E)-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-1908
(2E)-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-phenylprop-2-enamide

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

G717-1908

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cc2nc(CCNC(/C=C/c3ccccc3)=O)n[nH]2)cc1

InChI

InChI=1S/C21H22N4O/c1-16-7-9-18(10-8-16)15-20-23-19(24-25-20)13-14-22-21(26)12-11-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,22,26)(H,23,24,25)

InChI Key

SEBUBEIWXZIMGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

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

4.085

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.21

Polar Surface Area

60.046

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G717-1908 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with G717-1908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-1908?
Check Price and Availability of G717-1908, 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 G717-1908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-1908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-1908
  • 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 G717-1908 available by request