4581-0502 Screening compound: 4-tert-butyl-N-[(pyridin-2-yl)methyl]benzamide

4581-0502 Screening compound: 4-tert-butyl-N-[(pyridin-2-yl)methyl]benzamide
4581-0502 Screening compound: 4-tert-butyl-N-[(pyridin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4581-0502
4-tert-butyl-N-[(pyridin-2-yl)methyl]benzamide

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

4581-0502

Molecular Formula

C17H20N2O (C17 H20 N2 O)

Compound Name

4-tert-butyl-N-[(pyridin-2-yl)methyl]benzamide

IUPAC name

4-tert-butyl-N-[(pyridin-2-yl)methyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NCc1ncccc1)=O

InChI

InChI=1S/C17H20N2O/c1-17(2,3)14-9-7-13(8-10-14)16(20)19-12-15-6-4-5-11-18-15/h4-11H,12H2,1-3H3,(H,19,20)

InChI Key

DGXPXPHGPGWYLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01022097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.48

Polar Surface Area

34.195

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

4581-0502 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 4581-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4581-0502?
Check Price and Availability of 4581-0502, 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 4581-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4581-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4581-0502
  • 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 4581-0502 available by request