T403-0642 Screening compound: N-[(3-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

T403-0642 Screening compound: N-[(3-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
T403-0642 Screening compound: N-[(3-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T403-0642
N-[(3-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

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

T403-0642

Molecular Formula

C21H22F3N5O2 (C21 H22 F3 N5 O2)

Compound Name

N-[(3-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[124]triazolo[43-a]pyridin-3-yl]piperidine-3-carboxamide

SMILES

COc1cccc(CNC(C(CCC2)CN2c2nnc3n2cc(C(F)(F)F)cc3)=O)c1

InChI

InChI=1S/C21H22F3N5O2/c1-31-17-6-2-4-14(10-17)11-25-19(30)15-5-3-9-28(12-15)20-27-26-18-8-7-16(13-29(18)20)21(22,23)24/h2,4,6-8,10,13,15H,3,5,9,11-12H2,1H3,(H,25,30)/t15-/m0/s1

InChI Key

MZUCOISLCICTSF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27619334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-3.10

Polar Surface Area

56.625

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

T403-0642 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T403-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T403-0642?
Check Price and Availability of T403-0642, 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 T403-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T403-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T403-0642
  • 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 T403-0642 available by request