8012-5234 Screening compound: 6-(4-chlorophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline
Chemical Structure Depiction of ChemDiv screening compound 8012-5234
6-(4-chlorophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline
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
8012-5234
Molecular Formula
C17H16ClNO2 (C17 H16 ClNO2)
Compound Name
6-(4-chlorophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline
IUPAC name
6-(4-chlorophenyl)-2H3H6H7H8H9H-[14]dioxino[23-g]isoquinoline
SMILES
Clc1ccc(C2NCCc3c2cc2OCCOc2c3)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
301.77
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
1.888
Distribution Coefficient, logD
0.245
Water Solubility, LogSw
-2.84
Polar Surface Area
27.981
Acid Dissociation Constant (pKa)
23.67
Base Dissociation Constant (pKb)
9.03
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
29.41
8012-5234 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-infective Library (19449 compounds)
CNS BBB Library (22607 compounds)
Akt-Targeted Library (14764 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Agro
References: we are preparing a list of scientific research reports with 8012-5234 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)