F617-0126 Screening compound: 4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide

F617-0126 Screening compound: 4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide
F617-0126 Screening compound: 4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F617-0126
4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}-N-[4-(trifluoromethoxy)phenyl]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

F617-0126

Molecular Formula

C19H12F3N5O2 (C19 H12 F3 N5 O2)

Compound Name

4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide

IUPAC name

4-{3H-[123]triazolo[45-b]pyridin-3-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide

SMILES

O=C(c(cc1)ccc1-n1nnc2cccnc12)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C19H12F3N5O2/c20-19(21,22)29-15-9-5-13(6-10-15)24-18(28)12-3-7-14(8-4-12)27-17-16(25-26-27)2-1-11-23-17/h1-11H,(H,24,28)

InChI Key

JBPFMOWCHQIIOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27179090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-4.09

Polar Surface Area

64.735

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

F617-0126 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F617-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F617-0126?
Check Price and Availability of F617-0126, 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 F617-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F617-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F617-0126
  • 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 F617-0126 available by request