C250-0057 Screening compound: 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
Chemical Structure Depiction of ChemDiv screening compound C250-0057
3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
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
C250-0057
Molecular Formula
C14H15FN2S (C14 H15 FN2 S)
Compound Name
3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
IUPAC name
3-(3-fluorophenyl)-14-diazaspiro[4.5]dec-3-ene-2-thione
SMILES
Fc1cccc(C2=NC3(CCCCC3)NC2=S)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
262.35
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
3.530
Distribution Coefficient, logD
3.276
Water Solubility, LogSw
-3.75
Polar Surface Area
20.700
Acid Dissociation Constant (pKa)
7.50
Base Dissociation Constant (pKb)
0.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.90
C250-0057 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
- PPI modulators
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with C250-0057 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)