L454-0191 Screening compound: 6-(4-fluorophenyl)-N~3~-(4-isopropylphenyl)nicotinamide

L454-0191 Screening compound: 6-(4-fluorophenyl)-N~3~-(4-isopropylphenyl)nicotinamide
L454-0191 Screening compound: 6-(4-fluorophenyl)-N~3~-(4-isopropylphenyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L454-0191
6-(4-fluorophenyl)-N~3~-(4-isopropylphenyl)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

L454-0191

Molecular Formula

C21H19FN2O (C21 H19 FN2 O)

Compound Name

6-(4-fluorophenyl)-N~3~-(4-isopropylphenyl)nicotinamide

IUPAC name

6-(4-fluorophenyl)-N-[4-(propan-2-yl)phenyl]pyridine-3-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(c(cc1)cnc1-c(cc1)ccc1F)=O

InChI

InChI=1S/C21H19FN2O/c1-14(2)15-5-10-19(11-6-15)24-21(25)17-7-12-20(23-13-17)16-3-8-18(22)9-4-16/h3-14H,1-2H3,(H,24,25)

InChI Key

ODSSDIMDZMLTHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.39

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

5.593

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-5.50

Polar Surface Area

32.196

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

L454-0191 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L454-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L454-0191?
Check Price and Availability of L454-0191, 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 L454-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L454-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L454-0191
  • 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 L454-0191 available by request