L541-0498 Screening compound: 6-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

L541-0498 Screening compound: 6-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-cyclopropyl-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
L541-0498 Screening compound: 6-({[3-(4-bromophenyl)-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 L541-0498
6-({[3-(4-bromophenyl)-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

L541-0498

Molecular Formula

C21H15BrN4O4S (C21 H15 BrN4 O4 S)

Compound Name

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

SMILES

O=C1N(C2CC2)C(SCc2nc(-c(cc3)ccc3Br)no2)=Nc2c1cc1OCOc1c2

InChI

InChI=1S/C21H15BrN4O4S/c22-12-3-1-11(2-4-12)19-24-18(30-25-19)9-31-21-23-15-8-17-16(28-10-29-17)7-14(15)20(27)26(21)13-5-6-13/h1-4,7-8,13H,5-6,9-10H2

InChI Key

ILRQHKYQZMSSKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.34

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

5.620

Distribution Coefficient, logD

5.620

Water Solubility, LogSw

-5.87

Polar Surface Area

73.782

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L541-0498 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L541-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L541-0498?
Check Price and Availability of L541-0498, 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 L541-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L541-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L541-0498
  • 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 L541-0498 available by request