Y044-6573 Screening compound: (1R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
Chemical Structure Depiction of ChemDiv screening compound Y044-6573
(1R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
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
Y044-6573
Molecular Formula
C11H18N2O (C11 H18 N2 O)
Compound Name
(1R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
IUPAC name
(1R9S)-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one
SMILES
O=C(CCC1)N2C1[C@@H](C1)CNC[C@@H]1C2
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
194.28
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
0.526
Distribution Coefficient, logD
-2.753
Water Solubility, LogSw
-0.83
Polar Surface Area
28.620
Acid Dissociation Constant (pKa)
23.98
Base Dissociation Constant (pKb)
10.68
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
90.91
Y044-6573 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS Annotated Library (688 compounds)
Human Ion Channels Annotated Library (353 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y044-6573 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)