L438-0158 Screening compound: 3-[8-fluoro-2-(piperidin-1-yl)quinolin-6-yl]-1-[(4-methylphenyl)methyl]urea

L438-0158 Screening compound: 3-[8-fluoro-2-(piperidin-1-yl)quinolin-6-yl]-1-[(4-methylphenyl)methyl]urea
L438-0158 Screening compound: 3-[8-fluoro-2-(piperidin-1-yl)quinolin-6-yl]-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L438-0158
3-[8-fluoro-2-(piperidin-1-yl)quinolin-6-yl]-1-[(4-methylphenyl)methyl]urea

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

L438-0158

Molecular Formula

C23H25FN4O (C23 H25 FN4 O)

Compound Name

3-[8-fluoro-2-(piperidin-1-yl)quinolin-6-yl]-1-[(4-methylphenyl)methyl]urea

IUPAC name

3-[8-fluoro-2-(piperidin-1-yl)quinolin-6-yl]-1-[(4-methylphenyl)methyl]urea

SMILES

Cc1ccc(CNC(Nc2cc3ccc(N4CCCCC4)nc3c(F)c2)=O)cc1

InChI

InChI=1S/C23H25FN4O/c1-16-5-7-17(8-6-16)15-25-23(29)26-19-13-18-9-10-21(27-22(18)20(24)14-19)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12,15H2,1H3,(H2,25,26,29)

InChI Key

ZSCCDRBOENXKIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27252714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.59

Polar Surface Area

45.881

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

L438-0158 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L438-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L438-0158?
Check Price and Availability of L438-0158, 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 L438-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L438-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L438-0158
  • 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 L438-0158 available by request