7919-0017 Screening compound: 1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

7919-0017 Screening compound: 1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
7919-0017 Screening compound: 1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7919-0017
1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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

7919-0017

Molecular Formula

C17H14FN3O2S (C17 H14 FN3 O2 S)

Compound Name

1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

COc(cccc1)c1-c([nH]1)nnc1SCC(c(cc1)ccc1F)=O

InChI

InChI=1S/C17H14FN3O2S/c1-23-15-5-3-2-4-13(15)16-19-17(21-20-16)24-10-14(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,20,21)

InChI Key

ABSKYCIJLXYLPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-3.08

Polar Surface Area

53.351

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 7919-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7919-0017?
Check Price and Availability of 7919-0017, 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 7919-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7919-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7919-0017
  • 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 7919-0017 available by request