L453-0221 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide

L453-0221 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide
L453-0221 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0221
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide

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

L453-0221

Molecular Formula

C28H33N5O3 (C28 H33 N5 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-124-oxadiazol-5-yl]benzamide

SMILES

Cc(cccc1)c1NC(N(C)CCc1noc(-c(cc2)ccc2C(NCCC2=CCCCC2)=O)n1)=O

InChI

InChI=1S/C28H33N5O3/c1-20-8-6-7-11-24(20)30-28(35)33(2)19-17-25-31-27(36-32-25)23-14-12-22(13-15-23)26(34)29-18-16-21-9-4-3-5-10-21/h6-9,11-15H,3-5,10,16-19H2,1-2H3,(H,29,34)(H,30,35)

InChI Key

LWYRIQVRIGKXTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.418

Distribution Coefficient, logD

4.418

Water Solubility, LogSw

-4.11

Polar Surface Area

81.605

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

L453-0221 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L453-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0221?
Check Price and Availability of L453-0221, 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 L453-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0221
  • 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 L453-0221 available by request