L453-0249 Screening compound: N-[(4-ethylphenyl)methyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide

L453-0249 Screening compound: N-[(4-ethylphenyl)methyl]-4-[3-(2-{methyl[(2-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzamide
L453-0249 Screening compound: N-[(4-ethylphenyl)methyl]-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 L453-0249
N-[(4-ethylphenyl)methyl]-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

L453-0249

Molecular Formula

C29H31N5O3 (C29 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNC(c(cc2)ccc2-c2nc(CCN(C)C(Nc3c(C)cccc3)=O)no2)=O)cc1

InChI

InChI=1S/C29H31N5O3/c1-4-21-9-11-22(12-10-21)19-30-27(35)23-13-15-24(16-14-23)28-32-26(33-37-28)17-18-34(3)29(36)31-25-8-6-5-7-20(25)2/h5-16H,4,17-19H2,1-3H3,(H,30,35)(H,31,36)

InChI Key

YKAJBOYAGRECDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.6

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

5.044

Distribution Coefficient, logD

5.044

Water Solubility, LogSw

-4.49

Polar Surface Area

81.572

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

L453-0249 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0249?
Check Price and Availability of L453-0249, 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 L453-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0249
  • 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 L453-0249 available by request