L453-0132 Screening compound: 3-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(4-chlorophenyl)-3-methylurea

L453-0132 Screening compound: 3-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(4-chlorophenyl)-3-methylurea
L453-0132 Screening compound: 3-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(4-chlorophenyl)-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0132
3-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(4-chlorophenyl)-3-methylurea

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

L453-0132

Molecular Formula

C25H28ClN5O3 (C25 H28 ClN5 O3)

Compound Name

3-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-1-(4-chlorophenyl)-3-methylurea

IUPAC name

3-(2-{5-[4-(azepane-1-carbonyl)phenyl]-124-oxadiazol-3-yl}ethyl)-1-(4-chlorophenyl)-3-methylurea

SMILES

CN(CCc1noc(-c(cc2)ccc2C(N2CCCCCC2)=O)n1)C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H28ClN5O3/c1-30(25(33)27-21-12-10-20(26)11-13-21)17-14-22-28-23(34-29-22)18-6-8-19(9-7-18)24(32)31-15-4-2-3-5-16-31/h6-13H,2-5,14-17H2,1H3,(H,27,33)

InChI Key

UZFAGBJIYNDHSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.98

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

4.429

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.58

Polar Surface Area

74.835

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L453-0132 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0132?
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What is the minimum amount of L453-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0132
  • 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 L453-0132 available by request