L453-0698 Screening compound: 3-(butan-2-yl)-1-methyl-1-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea

L453-0698 Screening compound: 3-(butan-2-yl)-1-methyl-1-(2-{5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)urea
L453-0698 Screening compound: 3-(butan-2-yl)-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 L453-0698
3-(butan-2-yl)-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

L453-0698

Molecular Formula

C21H29N5O4 (C21 H29 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H29N5O4/c1-4-15(2)22-21(28)25(3)10-9-18-23-19(30-24-18)16-5-7-17(8-6-16)20(27)26-11-13-29-14-12-26/h5-8,15H,4,9-14H2,1-3H3,(H,22,28)/t15-/m0/s1

InChI Key

AORINZBLTYDIGE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27253275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.698

Distribution Coefficient, logD

1.698

Water Solubility, LogSw

-2.22

Polar Surface Area

83.448

Acid Dissociation Constant (pKa)

16.71

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

L453-0698 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L453-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0698?
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What is the minimum amount of L453-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0698
  • 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 L453-0698 available by request