G717-1394 Screening compound: 3-chloro-N-{2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide

G717-1394 Screening compound: 3-chloro-N-{2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide
G717-1394 Screening compound: 3-chloro-N-{2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-1394
3-chloro-N-{2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide

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

G717-1394

Molecular Formula

C18H17ClN4O2 (C18 H17 ClN4 O2)

Compound Name

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

IUPAC name

3-chloro-N-{2-[5-(4-methoxyphenyl)-1H-124-triazol-3-yl]ethyl}benzamide

SMILES

COc(cc1)ccc1-c1nc(CCNC(c2cccc(Cl)c2)=O)n[nH]1

InChI

InChI=1S/C18H17ClN4O2/c1-25-15-7-5-12(6-8-15)17-21-16(22-23-17)9-10-20-18(24)13-3-2-4-14(19)11-13/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,22,23)

InChI Key

KNSNAWQTKBSLHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.83

Polar Surface Area

66.812

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G717-1394 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G717-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-1394?
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What is the minimum amount of G717-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-1394
  • 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 G717-1394 available by request