T403-1036 Screening compound: 1-{8-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL}-N-(2-FLUOROPHENYL)PIPERIDINE-3-CARBOXAMIDE

T403-1036 Screening compound: 1-{8-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL}-N-(2-FLUOROPHENYL)PIPERIDINE-3-CARBOXAMIDE
T403-1036 Screening compound: 1-{8-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL}-N-(2-FLUOROPHENYL)PIPERIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T403-1036
1-{8-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL}-N-(2-FLUOROPHENYL)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

T403-1036

Molecular Formula

C18H17ClFN5O (C18 H17 ClFN5 O)

Compound Name

1-{8-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL}-N-(2-FLUOROPHENYL)PIPERIDINE-3-CARBOXAMIDE

IUPAC name

1-{8-chloro-[124]triazolo[43-a]pyridin-3-yl}-N-(2-fluorophenyl)piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1nnc2n1cccc2Cl)Nc(cccc1)c1F

InChI

InChI=1S/C18H17ClFN5O/c19-13-6-4-10-25-16(13)22-23-18(25)24-9-3-5-12(11-24)17(26)21-15-8-2-1-7-14(15)20/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,21,26)/t12-/m0/s1

InChI Key

JYPJERLVEALFGQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27619355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.605

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-3.31

Polar Surface Area

47.715

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

T403-1036 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T403-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T403-1036?
Check Price and Availability of T403-1036, 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 T403-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T403-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T403-1036
  • 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 T403-1036 available by request