G717-5116 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide

G717-5116 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide
G717-5116 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-5116
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide

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

G717-5116

Molecular Formula

C19H17FN4O3 (C19 H17 FN4 O3)

Compound Name

N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide

IUPAC name

N-{2-[5-(2H-13-benzodioxol-5-yl)-1H-124-triazol-3-yl]ethyl}-3-fluoro-4-methylbenzamide

SMILES

Cc(ccc(C(NCCc1n[nH]c(-c(cc2)cc3c2OCO3)n1)=O)c1)c1F

InChI

InChI=1S/C19H17FN4O3/c1-11-2-3-13(8-14(11)20)19(25)21-7-6-17-22-18(24-23-17)12-4-5-15-16(9-12)27-10-26-15/h2-5,8-9H,6-7,10H2,1H3,(H,21,25)(H,22,23,24)

InChI Key

ZESGIYBJBUMVQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.36

Polar Surface Area

76.384

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G717-5116 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G717-5116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-5116?
Check Price and Availability of G717-5116, 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 G717-5116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-5116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-5116
  • 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 G717-5116 available by request