L453-0521 Screening compound: 1-(3-cyanophenyl)-3-methyl-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0521 Screening compound: 1-(3-cyanophenyl)-3-methyl-3-(2-{5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0521 Screening compound: 1-(3-cyanophenyl)-3-methyl-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 L453-0521
1-(3-cyanophenyl)-3-methyl-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

L453-0521

Molecular Formula

C24H24N6O3 (C24 H24 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(CCc1noc(-c(cc2)ccc2C(N2CCCC2)=O)n1)C(Nc1cc(C#N)ccc1)=O

InChI

InChI=1S/C24H24N6O3/c1-29(24(32)26-20-6-4-5-17(15-20)16-25)14-11-21-27-22(33-28-21)18-7-9-19(10-8-18)23(31)30-12-2-3-13-30/h4-10,15H,2-3,11-14H2,1H3,(H,26,32)

InChI Key

NKAMOWPRKAGVTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.48

Polar Surface Area

91.927

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

L453-0521 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with L453-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0521?
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What is the minimum amount of L453-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0521
  • 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 L453-0521 available by request