S055-0176 Screening compound: N-[(2-methoxy-3-pyridyl)methyl]-2-methylbenzamide

S055-0176 Screening compound: N-[(2-methoxy-3-pyridyl)methyl]-2-methylbenzamide
S055-0176 Screening compound: N-[(2-methoxy-3-pyridyl)methyl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-0176
N-[(2-methoxy-3-pyridyl)methyl]-2-methylbenzamide

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

S055-0176

Molecular Formula

C15H16N2O2 (C15 H16 N2 O2)

Compound Name

N-[(2-methoxy-3-pyridyl)methyl]-2-methylbenzamide

IUPAC name

N-[(2-methoxypyridin-3-yl)methyl]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(NCc(cccn1)c1OC)=O

InChI

InChI=1S/C15H16N2O2/c1-11-6-3-4-8-13(11)14(18)17-10-12-7-5-9-16-15(12)19-2/h3-9H,10H2,1-2H3,(H,17,18)

InChI Key

PUJQLZRWFNHATE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.30

Polar Surface Area

42.001

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S055-0176 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S055-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-0176?
Check Price and Availability of S055-0176, 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 S055-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-0176
  • 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 S055-0176 available by request