4964-3537 Screening compound: 1-[(cyclohex-3-en-1-yl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine
Chemical Structure Depiction of ChemDiv screening compound 4964-3537
1-[(cyclohex-3-en-1-yl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine
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
4964-3537
Molecular Formula
C19H28N2S (C19 H28 N2 S)
Compound Name
1-[(cyclohex-3-en-1-yl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine
IUPAC name
1-[(cyclohex-3-en-1-yl)methyl]-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine
SMILES
CSc1ccc(CN2CCN(CC3CC=CCC3)CC2)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HOOCCOOH
Molecular Weight
316.51
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
4.197
Distribution Coefficient, logD
3.171
Water Solubility, LogSw
-4.11
Polar Surface Area
7.704
Acid Dissociation Constant (pKa)
25.51
Base Dissociation Constant (pKb)
8.38
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
57.90
4964-3537 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Epigenetic
References: we are preparing a list of scientific research reports with 4964-3537 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)