L541-0431 Screening compound: 6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(3-methoxypropyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

L541-0431 Screening compound: 6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(3-methoxypropyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
L541-0431 Screening compound: 6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(3-methoxypropyl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L541-0431
6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(3-methoxypropyl)-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

L541-0431

Molecular Formula

C22H19FN4O5S (C22 H19 FN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN1C(SCc2nc(-c(cc3)ccc3F)no2)=Nc(cc2OCOc2c2)c2C1=O

InChI

InChI=1S/C22H19FN4O5S/c1-29-8-2-7-27-21(28)15-9-17-18(31-12-30-17)10-16(15)24-22(27)33-11-19-25-20(26-32-19)13-3-5-14(23)6-4-13/h3-6,9-10H,2,7-8,11-12H2,1H3

InChI Key

SLEWVBGTWUZHQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.33

Polar Surface Area

82.822

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L541-0431 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • 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 L541-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L541-0431?
Check Price and Availability of L541-0431, 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 L541-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L541-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L541-0431
  • 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 L541-0431 available by request