T404-1954 Screening compound: 3-fluoro-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide

T404-1954 Screening compound: 3-fluoro-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide
T404-1954 Screening compound: 3-fluoro-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T404-1954
3-fluoro-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}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

T404-1954

Molecular Formula

C19H17F4N5O (C19 H17 F4 N5 O)

Compound Name

3-fluoro-N-{1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl}benzamide

IUPAC name

3-fluoro-N-{1-[6-(trifluoromethyl)-[124]triazolo[43-a]pyridin-3-yl]piperidin-4-yl}benzamide

SMILES

O=C(c1cccc(F)c1)NC(CC1)CCN1c1nnc2n1cc(C(F)(F)F)cc2

InChI

InChI=1S/C19H17F4N5O/c20-14-3-1-2-12(10-14)17(29)24-15-6-8-27(9-7-15)18-26-25-16-5-4-13(11-28(16)18)19(21,22)23/h1-5,10-11,15H,6-9H2,(H,24,29)

InChI Key

NPXDEPAWCIUZHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.28

Polar Surface Area

48.681

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

T404-1954 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T404-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T404-1954?
Check Price and Availability of T404-1954, 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 T404-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T404-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T404-1954
  • 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 T404-1954 available by request