L541-0486 Screening compound: 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

L541-0486 Screening compound: 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
L541-0486 Screening compound: 6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L541-0486
6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-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

L541-0486

Molecular Formula

C22H16N4O6S (C22 H16 N4 O6 S)

Compound Name

6-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-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-cyclopropyl-2H7H8H-[13]dioxolo[45-g]quinazolin-8-one

SMILES

O=C1N(C2CC2)C(SCc2nc(-c(cc3)cc4c3OCO4)no2)=Nc2c1cc1OCOc1c2

InChI

InChI=1S/C22H16N4O6S/c27-21-13-6-17-18(31-10-30-17)7-14(13)23-22(26(21)12-2-3-12)33-8-19-24-20(25-32-19)11-1-4-15-16(5-11)29-9-28-15/h1,4-7,12H,2-3,8-10H2

InChI Key

QRLGZWTVZCJYTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.707

Water Solubility, LogSw

-4.80

Polar Surface Area

90.898

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L541-0486 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 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 L541-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L541-0486?
Check Price and Availability of L541-0486, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L541-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L541-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L541-0486
  • 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 L541-0486 available by request