L453-0683 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0683 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0683 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0683
1-(5-chloro-2-methoxyphenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-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

L453-0683

Molecular Formula

C24H26ClN5O5 (C24 H26 ClN5 O5)

Compound Name

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

IUPAC name

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

SMILES

CN(CCc1noc(-c(cc2)ccc2C(N2CCOCC2)=O)n1)C(Nc(cc(cc1)Cl)c1OC)=O

InChI

InChI=1S/C24H26ClN5O5/c1-29(24(32)26-19-15-18(25)7-8-20(19)33-2)10-9-21-27-22(35-28-21)16-3-5-17(6-4-16)23(31)30-11-13-34-14-12-30/h3-8,15H,9-14H2,1-2H3,(H,26,32)

InChI Key

LIMHJQQOYOMVNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-3.65

Polar Surface Area

89.345

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L453-0683 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L453-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0683?
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What is the minimum amount of L453-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0683
  • 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 L453-0683 available by request