K783-6439 Screening compound: N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carbothioamide
Chemical Structure Depiction of ChemDiv screening compound K783-6439
N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carbothioamide
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
K783-6439
Molecular Formula
C21H22N2O3S (C21 H22 N2 O3 S)
Compound Name
N-(3-methoxyphenyl)-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carbothioamide
IUPAC name
N-(3-methoxyphenyl)-4-oxo-34-dihydrospiro[1-benzopyran-24'-piperidine]-1'-carbothioamide
SMILES
COc1cccc(NC(N(CC2)CCC2(C2)Oc(cccc3)c3C2=O)=S)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
382.48
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.806
Distribution Coefficient, logD
3.806
Water Solubility, LogSw
-4.18
Polar Surface Area
37.472
Acid Dissociation Constant (pKa)
14.09
Base Dissociation Constant (pKb)
2.57
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
K783-6439 in Drug Discovery
Included in Screening Libraries
Antiviral HBV Library (10007 compounds)
Covalent Inhibitors Library (7986 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cyclic compounds
- 3D
- Fragments
- Agro
References: we are preparing a list of scientific research reports with K783-6439 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)