J038-0516 Screening compound: 5-(3-bromo-4-methoxyphenyl)-9-methyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline
Chemical Structure Depiction of ChemDiv screening compound J038-0516
5-(3-bromo-4-methoxyphenyl)-9-methyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline
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
J038-0516
Molecular Formula
C20H22BrNO2 (C20 H22 BrNO2)
Compound Name
5-(3-bromo-4-methoxyphenyl)-9-methyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline
IUPAC name
(4aS10bS)-5-(3-bromo-4-methoxyphenyl)-9-methyl-2H3H4H4aH5H6H10bH-pyrano[32-c]quinoline
SMILES
Cc(cc1)cc([C@H]2OCCC[C@@H]22)c1NC2c(cc1)cc(Br)c1OC
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
388.3
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.528
Distribution Coefficient, logD
4.528
Water Solubility, LogSw
-4.39
Polar Surface Area
28.460
Acid Dissociation Constant (pKa)
19.64
Base Dissociation Constant (pKb)
4.90
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
40.00
J038-0516 in Drug Discovery
Included in Screening Libraries
3D Mimetics PPI Library (1617 compounds)
KRAS-Targeted Library (16000 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Epigenetics Focused Set (26518 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Mimetics
- 3D
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Nervous system
- Cardiovascular
- Kinases
- Kinases
- Ion Channels
- PPI modulators
References: we are preparing a list of scientific research reports with J038-0516 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of J038-0516, 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.
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)