L453-0599 Screening compound: 1-(4-fluorophenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0599 Screening compound: 1-(4-fluorophenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0599 Screening compound: 1-(4-fluorophenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0599
1-(4-fluorophenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)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

L453-0599

Molecular Formula

C24H26FN5O3 (C24 H26 FN5 O3)

Compound Name

1-(4-fluorophenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

IUPAC name

1-(4-fluorophenyl)-3-methyl-3-(2-{5-[4-(piperidine-1-carbonyl)phenyl]-124-oxadiazol-3-yl}ethyl)urea

SMILES

CN(CCc1noc(-c(cc2)ccc2C(N2CCCCC2)=O)n1)C(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C24H26FN5O3/c1-29(24(32)26-20-11-9-19(25)10-12-20)16-13-21-27-22(33-28-21)17-5-7-18(8-6-17)23(31)30-14-3-2-4-15-30/h5-12H,2-4,13-16H2,1H3,(H,26,32)

InChI Key

XSFKVZADFHALMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.64

Polar Surface Area

74.504

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L453-0599 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L453-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0599?
Check Price and Availability of L453-0599, 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 L453-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0599
  • 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 L453-0599 available by request