L309-0878 Screening compound: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,5-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

L309-0878 Screening compound: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,5-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
L309-0878 Screening compound: 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,5-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L309-0878
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,5-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

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

L309-0878

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,5-dimethylphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

4-[(5-cyclopropyl-124-oxadiazol-3-yl)methyl]-N-(25-dimethylphenyl)-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

Cc1cc(NS(c(cc2)cc(N3Cc4noc(C5CC5)n4)c2OCC3=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C22H22N4O5S/c1-13-3-4-14(2)17(9-13)25-32(28,29)16-7-8-19-18(10-16)26(21(27)12-30-19)11-20-23-22(31-24-20)15-5-6-15/h3-4,7-10,15,25H,5-6,11-12H2,1-2H3

InChI Key

FESDVFSKJWLJPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.69

Polar Surface Area

97.211

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L309-0878 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L309-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L309-0878?
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What is the minimum amount of L309-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L309-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L309-0878
  • 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 L309-0878 available by request