L309-1198 Screening compound: 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

L309-1198 Screening compound: 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
L309-1198 Screening compound: 4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(pyridin-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L309-1198
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(pyridin-3-yl)methyl]-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

L309-1198

Molecular Formula

C21H21N5O5S (C21 H21 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(Cc2noc(C3CCC3)n2)c(cc(cc2)S(NCc3cnccc3)(=O)=O)c2OC1

InChI

InChI=1S/C21H21N5O5S/c27-20-13-30-18-7-6-16(32(28,29)23-11-14-3-2-8-22-10-14)9-17(18)26(20)12-19-24-21(31-25-19)15-4-1-5-15/h2-3,6-10,15,23H,1,4-5,11-13H2

InChI Key

QIZJUKQZTBUFSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.601

Distribution Coefficient, logD

1.600

Water Solubility, LogSw

-2.27

Polar Surface Area

108.535

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L309-1198 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
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 L309-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L309-1198?
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What is the minimum amount of L309-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L309-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L309-1198
  • 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 L309-1198 available by request