L309-0452 Screening compound: 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

L309-0452 Screening compound: 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
L309-0452 Screening compound: 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L309-0452
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)-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

L309-0452

Molecular Formula

C19H17FN4O5S (C19 H17 FN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc(CN2c(cc(cc3)S(Nc(cc4)ccc4F)(=O)=O)c3OCC2=O)no1

InChI

InChI=1S/C19H17FN4O5S/c1-2-18-21-17(22-29-18)10-24-15-9-14(7-8-16(15)28-11-19(24)25)30(26,27)23-13-5-3-12(20)4-6-13/h3-9,23H,2,10-11H2,1H3

InChI Key

HZPVIQGLPYDGEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

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

2.653

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-3.21

Polar Surface Area

97.323

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

L309-0452 in Drug Discovery

Included in Screening Libraries

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 L309-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L309-0452?
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What is the minimum amount of L309-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L309-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L309-0452
  • 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 L309-0452 available by request