L453-0498 Screening compound: 3-methyl-1-(2-phenylethyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0498 Screening compound: 3-methyl-1-(2-phenylethyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0498 Screening compound: 3-methyl-1-(2-phenylethyl)-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0498
3-methyl-1-(2-phenylethyl)-3-(2-{5-[4-(pyrrolidine-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

L453-0498

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(CCc1noc(-c(cc2)ccc2C(N2CCCC2)=O)n1)C(NCCc1ccccc1)=O

InChI

InChI=1S/C25H29N5O3/c1-29(25(32)26-15-13-19-7-3-2-4-8-19)18-14-22-27-23(33-28-22)20-9-11-21(12-10-20)24(31)30-16-5-6-17-30/h2-4,7-12H,5-6,13-18H2,1H3,(H,26,32)

InChI Key

WSDYKBMRYPNTSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.169

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-3.35

Polar Surface Area

76.034

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L453-0498 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0498?
Check Price and Availability of L453-0498, 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 L453-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0498
  • 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 L453-0498 available by request