8004-2051 Screening compound: 4-(piperidine-1-carbothioyl)aniline
Chemical Structure Depiction of ChemDiv screening compound 8004-2051
4-(piperidine-1-carbothioyl)aniline
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
8004-2051
Molecular Formula
C12H16N2S (C12 H16 N2 S)
Compound Name
4-(piperidine-1-carbothioyl)aniline
IUPAC name
4-(piperidine-1-carbothioyl)aniline
SMILES
Nc(cc1)ccc1C(N1CCCCC1)=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
220.34
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
2.292
Distribution Coefficient, logD
2.292
Water Solubility, LogSw
-2.50
Polar Surface Area
22.993
Acid Dissociation Constant (pKa)
21.51
Base Dissociation Constant (pKb)
7.57
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.70
8004-2051 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
References: we are preparing a list of scientific research reports with 8004-2051 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)