L309-0072 Screening compound: N-(4-ethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

L309-0072 Screening compound: N-(4-ethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
L309-0072 Screening compound: N-(4-ethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L309-0072
N-(4-ethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)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

L309-0072

Molecular Formula

C20H20N4O6S (C20 H20 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NS(c(cc1)cc(N2Cc3noc(C)n3)c1OCC2=O)(=O)=O

InChI

InChI=1S/C20H20N4O6S/c1-3-28-15-6-4-14(5-7-15)23-31(26,27)16-8-9-18-17(10-16)24(20(25)12-29-18)11-19-21-13(2)30-22-19/h4-10,23H,3,11-12H2,1-2H3

InChI Key

QIPGPTQOYCNSQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27243934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.399

Distribution Coefficient, logD

2.394

Water Solubility, LogSw

-3.03

Polar Surface Area

104.009

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L309-0072 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L309-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L309-0072?
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What is the minimum amount of L309-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L309-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L309-0072
  • 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 L309-0072 available by request