L309-0639 Screening compound: 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

L309-0639 Screening compound: 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
L309-0639 Screening compound: 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L309-0639
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methylphenyl)methyl]-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

L309-0639

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc(CN2c(cc(cc3)S(NCc4c(C)cccc4)(=O)=O)c3OCC2=O)no1

InChI

InChI=1S/C21H22N4O5S/c1-3-20-23-19(24-30-20)12-25-17-10-16(8-9-18(17)29-13-21(25)26)31(27,28)22-11-15-7-5-4-6-14(15)2/h4-10,22H,3,11-13H2,1-2H3

InChI Key

MWSQUOUTOMRQEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.84

Polar Surface Area

98.432

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L309-0639 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 L309-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L309-0639?
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What is the minimum amount of L309-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L309-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L309-0639
  • 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 L309-0639 available by request