T502-0073 Screening compound: N-benzyl-4-fluoro-1-(1-methyl-1H-indazole-3-carbonyl)piperidine-4-carboxamide

T502-0073 Screening compound: N-benzyl-4-fluoro-1-(1-methyl-1H-indazole-3-carbonyl)piperidine-4-carboxamide
T502-0073 Screening compound: N-benzyl-4-fluoro-1-(1-methyl-1H-indazole-3-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-0073
N-benzyl-4-fluoro-1-(1-methyl-1H-indazole-3-carbonyl)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

T502-0073

Molecular Formula

C22H23FN4O2 (C22 H23 FN4 O2)

Compound Name

N-benzyl-4-fluoro-1-(1-methyl-1H-indazole-3-carbonyl)piperidine-4-carboxamide

IUPAC name

N-benzyl-4-fluoro-1-(1-methyl-1H-indazole-3-carbonyl)piperidine-4-carboxamide

SMILES

Cn1nc(C(N(CC2)CCC2(C(NCc2ccccc2)=O)F)=O)c2c1cccc2

InChI

InChI=1S/C22H23FN4O2/c1-26-18-10-6-5-9-17(18)19(25-26)20(28)27-13-11-22(23,12-14-27)21(29)24-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,24,29)

InChI Key

KMHFEOQJJKFAEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.241

Water Solubility, LogSw

-2.64

Polar Surface Area

55.836

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

T502-0073 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T502-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-0073?
Check Price and Availability of T502-0073, 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 T502-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-0073
  • 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 T502-0073 available by request