L541-0264 Screening compound: 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(2-methoxyethyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

L541-0264 Screening compound: 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(2-methoxyethyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
L541-0264 Screening compound: 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(2-methoxyethyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L541-0264
6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(2-methoxyethyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

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

L541-0264

Molecular Formula

C22H18N4O7S (C22 H18 N4 O7 S)

Compound Name

6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(2-methoxyethyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

IUPAC name

6-({[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}sulfanyl)-7-(2-methoxyethyl)-2H7H8H-[13]dioxolo[45-g]quinazolin-8-one

SMILES

COCCN1C(SCc2nc(-c(cc3)cc4c3OCO4)no2)=Nc(cc2OCOc2c2)c2C1=O

InChI

InChI=1S/C22H18N4O7S/c1-28-5-4-26-21(27)13-7-17-18(32-11-31-17)8-14(13)23-22(26)34-9-19-24-20(25-33-19)12-2-3-15-16(6-12)30-10-29-15/h2-3,6-8H,4-5,9-11H2,1H3

InChI Key

XOLTVHKTPLAVSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.23

Polar Surface Area

99.937

Acid Dissociation Constant (pKa)

29.23

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L541-0264 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 L541-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L541-0264?
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What is the minimum amount of L541-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L541-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L541-0264
  • 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 L541-0264 available by request