G717-5103 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-2-chloro-4-fluorobenzamide

G717-5103 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-2-chloro-4-fluorobenzamide
G717-5103 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-2-chloro-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-5103
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]ethyl}-2-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

G717-5103

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}-2-chloro-4-fluorobenzamide

IUPAC name

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

SMILES

O=C(c(ccc(F)c1)c1Cl)NCCc1n[nH]c(-c(cc2)cc3c2OCO3)n1

InChI

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

InChI Key

UGLYJCDFSTZUFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153696

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

3.540

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-4.30

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

G717-5103 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 G717-5103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-5103?
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What is the minimum amount of G717-5103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-5103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-5103
  • 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 G717-5103 available by request