G717-5104 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-chloro-4-fluorobenzamide

G717-5104 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-chloro-4-fluorobenzamide
G717-5104 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-chloro-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-5104
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-3-chloro-4-fluorobenzamide

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

G717-5104

Molecular Formula

C18H14ClFN4O3 (C18 H14 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(Cl)c1F)NCCc1n[nH]c(-c(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C18H14ClFN4O3/c19-12-7-11(1-3-13(12)20)18(25)21-6-5-16-22-17(24-23-16)10-2-4-14-15(8-10)27-9-26-14/h1-4,7-8H,5-6,9H2,(H,21,25)(H,22,23,24)

InChI Key

VOFSUBNULHNYFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.79

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

3.115

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.69

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

16.70

G717-5104 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 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 G717-5104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-5104?
Check Price and Availability of G717-5104, 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 G717-5104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-5104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-5104
  • 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 G717-5104 available by request