D171-0125 Screening compound: 5,5'-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
Chemical Structure Depiction of ChemDiv screening compound D171-0125
5,5'-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
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
D171-0125
Molecular Formula
C20H25N3O2 (C20 H25 N3 O2)
Compound Name
5,5'-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
IUPAC name
57'-dimethyl-5'-propyl-12-dihydro-1'3'-diazaspiro[indole-32'-tricyclo[3.3.1.1^{37}]decane]-26'-dione
SMILES
CCCC1(CN(CC2(C)C3)C(c(cc(C)cc4)c4N4)(C4=O)N3C1)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
339.44
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.405
Distribution Coefficient, logD
3.404
Water Solubility, LogSw
-3.63
Polar Surface Area
44.030
Acid Dissociation Constant (pKa)
9.86
Base Dissociation Constant (pKb)
0.85
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
60.00
D171-0125 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Dark Chemical Matter Library (18430 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Soluble Diversity Library (15920 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Pool
References: we are preparing a list of scientific research reports with D171-0125 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)