L309-0113 Screening compound: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

L309-0113 Screening compound: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
L309-0113 Screening compound: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L309-0113
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(oxolan-2-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

L309-0113

Molecular Formula

C17H20N4O6S (C17 H20 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(CN2c(cc(cc3)S(NCC4OCCC4)(=O)=O)c3OCC2=O)no1

InChI

InChI=1S/C17H20N4O6S/c1-11-19-16(20-27-11)9-21-14-7-13(4-5-15(14)26-10-17(21)22)28(23,24)18-8-12-3-2-6-25-12/h4-5,7,12,18H,2-3,6,8-10H2,1H3/t12-/m1/s1

InChI Key

YXYKAALZNFUDFK-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27243960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.583

Distribution Coefficient, logD

0.583

Water Solubility, LogSw

-2.52

Polar Surface Area

106.648

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

L309-0113 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L309-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L309-0113?
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What is the minimum amount of L309-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L309-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L309-0113
  • 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 L309-0113 available by request