L541-0535 Screening compound: 6-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-ethyl-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

L541-0535 Screening compound: 6-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-ethyl-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
L541-0535 Screening compound: 6-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-ethyl-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L541-0535
6-({[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-ethyl-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

L541-0535

Molecular Formula

C20H15BrN4O4S (C20 H15 BrN4 O4 S)

Compound Name

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

SMILES

CCN1C(SCc2nc(-c(cc3)ccc3Br)no2)=Nc(cc2OCOc2c2)c2C1=O

InChI

InChI=1S/C20H15BrN4O4S/c1-2-25-19(26)13-7-15-16(28-10-27-15)8-14(13)22-20(25)30-9-17-23-18(24-29-17)11-3-5-12(21)6-4-11/h3-8H,2,9-10H2,1H3

InChI Key

XBFWTMCPPUWVEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.33

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

5.414

Distribution Coefficient, logD

5.414

Water Solubility, LogSw

-5.36

Polar Surface Area

74.226

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L541-0535 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L541-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L541-0535?
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What is the minimum amount of L541-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L541-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L541-0535
  • 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 L541-0535 available by request