T502-1559 Screening compound: 1-(3-cyanobenzoyl)-4-fluoro-N-[(pyridin-4-yl)methyl]piperidine-4-carboxamide

T502-1559 Screening compound: 1-(3-cyanobenzoyl)-4-fluoro-N-[(pyridin-4-yl)methyl]piperidine-4-carboxamide
T502-1559 Screening compound: 1-(3-cyanobenzoyl)-4-fluoro-N-[(pyridin-4-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-1559
1-(3-cyanobenzoyl)-4-fluoro-N-[(pyridin-4-yl)methyl]piperidine-4-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

T502-1559

Molecular Formula

C20H19FN4O2 (C20 H19 FN4 O2)

Compound Name

1-(3-cyanobenzoyl)-4-fluoro-N-[(pyridin-4-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-(3-cyanobenzoyl)-4-fluoro-N-[(pyridin-4-yl)methyl]piperidine-4-carboxamide

SMILES

N#Cc1cccc(C(N(CC2)CCC2(C(NCc2ccncc2)=O)F)=O)c1

InChI

InChI=1S/C20H19FN4O2/c21-20(19(27)24-14-15-4-8-23-9-5-15)6-10-25(11-7-20)18(26)17-3-1-2-16(12-17)13-22/h1-5,8-9,12H,6-7,10-11,14H2,(H,24,27)

InChI Key

MDTGMWIAKCKMEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.681

Distribution Coefficient, logD

0.678

Water Solubility, LogSw

-1.39

Polar Surface Area

67.785

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

T502-1559 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with T502-1559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-1559?
Check Price and Availability of T502-1559, 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 T502-1559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-1559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-1559
  • 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 T502-1559 available by request