0954-1153 Screening compound: (4Z)-8-tert-butyl-N-(2-methylphenyl)-2-(methylsulfanyl)-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-4-imine
Chemical Structure Depiction of ChemDiv screening compound 0954-1153
(4Z)-8-tert-butyl-N-(2-methylphenyl)-2-(methylsulfanyl)-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-4-imine
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
0954-1153
Molecular Formula
C26H33N3S (C26 H33 N3 S)
Compound Name
(4Z)-8-tert-butyl-N-(2-methylphenyl)-2-(methylsulfanyl)-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-4-imine
IUPAC name
(4Z)-8-tert-butyl-N-(2-methylphenyl)-2-(methylsulfanyl)-1-phenyl-13-diazaspiro[4.5]dec-2-en-4-imine
SMILES
CC(C)(C)C(CC1)CCC1(/C(/N=C1SC)=N/c2c(C)cccc2)N1c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HI
Molecular Weight
419.63
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
7.229
Distribution Coefficient, logD
7.229
Water Solubility, LogSw
-5.90
Polar Surface Area
19.561
Acid Dissociation Constant (pKa)
26.70
Base Dissociation Constant (pKb)
1.75
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
46.20
0954-1153 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Pool
- Agro
References: we are preparing a list of scientific research reports with 0954-1153 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)