L541-0801 Screening compound: 7-(4-fluorophenyl)-6-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

L541-0801 Screening compound: 7-(4-fluorophenyl)-6-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
L541-0801 Screening compound: 7-(4-fluorophenyl)-6-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L541-0801
7-(4-fluorophenyl)-6-({[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-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

L541-0801

Molecular Formula

C25H17FN4O4S (C25 H17 FN4 O4 S)

Compound Name

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

IUPAC name

7-(4-fluorophenyl)-6-({[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-2H7H8H-[13]dioxolo[45-g]quinazolin-8-one

SMILES

Cc1cccc(-c2noc(CSC(N3c(cc4)ccc4F)=Nc(cc4OCOc4c4)c4C3=O)n2)c1

InChI

InChI=1S/C25H17FN4O4S/c1-14-3-2-4-15(9-14)23-28-22(34-29-23)12-35-25-27-19-11-21-20(32-13-33-21)10-18(19)24(31)30(25)17-7-5-16(26)6-8-17/h2-11H,12-13H2,1H3

InChI Key

IIFMAFFMXZBMMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

5.689

Water Solubility, LogSw

-5.50

Polar Surface Area

73.618

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

L541-0801 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with L541-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L541-0801?
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What is the minimum amount of L541-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L541-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L541-0801
  • 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 L541-0801 available by request