L453-0691 Screening compound: 3-(3-ethoxypropyl)-1-methyl-1-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0691 Screening compound: 3-(3-ethoxypropyl)-1-methyl-1-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0691 Screening compound: 3-(3-ethoxypropyl)-1-methyl-1-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0691
3-(3-ethoxypropyl)-1-methyl-1-(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

L453-0691

Molecular Formula

C22H31N5O5 (C22 H31 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(N(C)CCc1noc(-c(cc2)ccc2C(N2CCOCC2)=O)n1)=O

InChI

InChI=1S/C22H31N5O5/c1-3-30-14-4-10-23-22(29)26(2)11-9-19-24-20(32-25-19)17-5-7-18(8-6-17)21(28)27-12-15-31-16-13-27/h5-8H,3-4,9-16H2,1-2H3,(H,23,29)

InChI Key

KQHPCRBEBSMMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.360

Distribution Coefficient, logD

1.360

Water Solubility, LogSw

-2.04

Polar Surface Area

91.825

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

L453-0691 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L453-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0691?
Check Price and Availability of L453-0691, 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 L453-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0691
  • 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 L453-0691 available by request