L453-0186 Screening compound: 3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0186 Screening compound: 3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0186 Screening compound: 3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0186
3-methyl-1-(2-methylphenyl)-3-(2-{5-[4-(4-methylpiperidine-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

L453-0186

Molecular Formula

C26H31N5O3 (C26 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(c(cc1)ccc1-c1nc(CCN(C)C(Nc2c(C)cccc2)=O)no1)=O

InChI

InChI=1S/C26H31N5O3/c1-18-12-16-31(17-13-18)25(32)21-10-8-20(9-11-21)24-28-23(29-34-24)14-15-30(3)26(33)27-22-7-5-4-6-19(22)2/h4-11,18H,12-17H2,1-3H3,(H,27,33)

InChI Key

SDGLEAJGMFBOGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

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

3.859

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-3.94

Polar Surface Area

73.806

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

L453-0186 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0186?
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What is the minimum amount of L453-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0186
  • 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 L453-0186 available by request