T502-0258 Screening compound: N-benzyl-4-fluoro-1-(pyridine-3-sulfonyl)piperidine-4-carboxamide

T502-0258 Screening compound: N-benzyl-4-fluoro-1-(pyridine-3-sulfonyl)piperidine-4-carboxamide
T502-0258 Screening compound: N-benzyl-4-fluoro-1-(pyridine-3-sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-0258
N-benzyl-4-fluoro-1-(pyridine-3-sulfonyl)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

T502-0258

Molecular Formula

C18H20FN3O3S (C18 H20 FN3 O3 S)

Compound Name

N-benzyl-4-fluoro-1-(pyridine-3-sulfonyl)piperidine-4-carboxamide

IUPAC name

N-benzyl-4-fluoro-1-(pyridine-3-sulfonyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)(CCN1S(c1cnccc1)(=O)=O)F)NCc1ccccc1

InChI

InChI=1S/C18H20FN3O3S/c19-18(17(23)21-13-15-5-2-1-3-6-15)8-11-22(12-9-18)26(24,25)16-7-4-10-20-14-16/h1-7,10,14H,8-9,11-13H2,(H,21,23)

InChI Key

ZXEIPPMIOBPZEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-2.01

Polar Surface Area

65.881

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

T502-0258 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T502-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-0258?
Check Price and Availability of T502-0258, 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 T502-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-0258
  • 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 T502-0258 available by request