3909-9832 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]isoquinoline
Chemical Structure Depiction of ChemDiv screening compound 3909-9832
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]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
3909-9832
Molecular Formula
C29H29ClN6O (C29 H29 ClN6 O)
Compound Name
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]isoquinoline
IUPAC name
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]isoquinoline
SMILES
O=C(c(c1ccccc11)cnc1N(CC1)CCN1c1ncccc1)N(CC1)CCN1c1cccc(Cl)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
513.04
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.473
Distribution Coefficient, logD
5.468
Water Solubility, LogSw
-6.05
Polar Surface Area
44.170
Acid Dissociation Constant (pKa)
23.83
Base Dissociation Constant (pKb)
5.52
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.60
3909-9832 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antimitotic Tubulin Library (17355 compounds)
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
Voltage-Gated Ion Channel-Targeted Library (4740 compounds)
Akt-Targeted Library (14764 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Nervous system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Ion Channels
- Kinases
References: we are preparing a list of scientific research reports with 3909-9832 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)