L541-0394 Screening compound: 6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(propan-2-yl)-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Chemical Structure Depiction of ChemDiv screening compound L541-0394
6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(propan-2-yl)-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
L541-0394
Molecular Formula
C21H17FN4O4S (C21 H17 FN4 O4 S)
Compound Name
6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(propan-2-yl)-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-(propan-2-yl)-2H7H8H-[13]dioxolo[45-g]quinazolin-8-one
SMILES
CC(C)N1C(SCc2nc(-c(cc3)ccc3F)no2)=Nc(cc2OCOc2c2)c2C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
440.45
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
5.036
Distribution Coefficient, logD
5.036
Water Solubility, LogSw
-4.75
Polar Surface Area
74.222
Acid Dissociation Constant (pKa)
30.43
Base Dissociation Constant (pKb)
2.01
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.80
L541-0394 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
Anticancer Library (62698 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
References: we are preparing a list of scientific research reports with L541-0394 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)