G717-5381 Screening compound: 2-bromo-N-{2-[5-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide

G717-5381 Screening compound: 2-bromo-N-{2-[5-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide
G717-5381 Screening compound: 2-bromo-N-{2-[5-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G717-5381
2-bromo-N-{2-[5-(3-fluoro-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

G717-5381

Molecular Formula

C18H16BrFN4O2 (C18 H16 BrFN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c1nc(CCNC(c(cccc2)c2Br)=O)n[nH]1)c1)c1F

InChI

InChI=1S/C18H16BrFN4O2/c1-26-15-7-6-11(10-14(15)20)17-22-16(23-24-17)8-9-21-18(25)12-4-2-3-5-13(12)19/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23,24)

InChI Key

KQHWBDCKOJAGPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.25

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

3.370

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.82

Polar Surface Area

66.899

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G717-5381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G717-5381?
Check Price and Availability of G717-5381, 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 G717-5381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G717-5381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G717-5381
  • 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 G717-5381 available by request