L453-0694 Screening compound: 1-(2-methoxy-5-methylphenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0694 Screening compound: 1-(2-methoxy-5-methylphenyl)-3-methyl-3-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0694 Screening compound: 1-(2-methoxy-5-methylphenyl)-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 L453-0694
1-(2-methoxy-5-methylphenyl)-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

L453-0694

Molecular Formula

C25H29N5O5 (C25 H29 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(NC(N(C)CCc2noc(-c(cc3)ccc3C(N3CCOCC3)=O)n2)=O)c1OC

InChI

InChI=1S/C25H29N5O5/c1-17-4-9-21(33-3)20(16-17)26-25(32)29(2)11-10-22-27-23(35-28-22)18-5-7-19(8-6-18)24(31)30-12-14-34-15-13-30/h4-9,16H,10-15H2,1-3H3,(H,26,32)

InChI Key

NLLCLGHKTDPUHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.54

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

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-2.97

Polar Surface Area

89.345

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with L453-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0694?
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What is the minimum amount of L453-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0694
  • 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 L453-0694 available by request