L454-0046 Screening compound: 6-(3-methylphenyl)-N~3~-pentylnicotinamide

L454-0046 Screening compound: 6-(3-methylphenyl)-N~3~-pentylnicotinamide
L454-0046 Screening compound: 6-(3-methylphenyl)-N~3~-pentylnicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L454-0046
6-(3-methylphenyl)-N~3~-pentylnicotinamide

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

L454-0046

Molecular Formula

C18H22N2O (C18 H22 N2 O)

Compound Name

6-(3-methylphenyl)-N~3~-pentylnicotinamide

IUPAC name

6-(3-methylphenyl)-N-pentylpyridine-3-carboxamide

SMILES

CCCCCNC(c(cc1)cnc1-c1cc(C)ccc1)=O

InChI

InChI=1S/C18H22N2O/c1-3-4-5-11-19-18(21)16-9-10-17(20-13-16)15-8-6-7-14(2)12-15/h6-10,12-13H,3-5,11H2,1-2H3,(H,19,21)

InChI Key

BPSGVHNQAHFVPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.381

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.10

Polar Surface Area

33.631

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

L454-0046 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with L454-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L454-0046?
Check Price and Availability of L454-0046, 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 L454-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L454-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L454-0046
  • 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 L454-0046 available by request