L454-0457 Screening compound: 6-(3-fluorophenyl)-N~3~-(3-methoxypropyl)nicotinamide

L454-0457 Screening compound: 6-(3-fluorophenyl)-N~3~-(3-methoxypropyl)nicotinamide
L454-0457 Screening compound: 6-(3-fluorophenyl)-N~3~-(3-methoxypropyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L454-0457
6-(3-fluorophenyl)-N~3~-(3-methoxypropyl)nicotinamide

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

L454-0457

Molecular Formula

C16H17FN2O2 (C16 H17 FN2 O2)

Compound Name

6-(3-fluorophenyl)-N~3~-(3-methoxypropyl)nicotinamide

IUPAC name

6-(3-fluorophenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide

SMILES

COCCCNC(c(cc1)cnc1-c1cccc(F)c1)=O

InChI

InChI=1S/C16H17FN2O2/c1-21-9-3-8-18-16(20)13-6-7-15(19-11-13)12-4-2-5-14(17)10-12/h2,4-7,10-11H,3,8-9H2,1H3,(H,18,20)

InChI Key

FMJQNBHEBWCSIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.583

Distribution Coefficient, logD

2.583

Water Solubility, LogSw

-2.93

Polar Surface Area

41.973

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L454-0457 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with L454-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L454-0457?
Check Price and Availability of L454-0457, 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 L454-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L454-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L454-0457
  • 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 L454-0457 available by request