4676-0382 Screening compound: 4-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl acetate
Chemical Structure Depiction of ChemDiv screening compound 4676-0382
4-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl acetate
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
4676-0382
Molecular Formula
C16H13NO5 (C16 H13 NO5)
Compound Name
4-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)phenyl acetate
IUPAC name
4-{35-dioxo-10-oxa-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}phenyl acetate
SMILES
CC(Oc(cc1)ccc1N(C(C(C12)C3OC2C=C3)=O)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
299.28
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.361
Distribution Coefficient, logD
0.361
Water Solubility, LogSw
-1.33
Polar Surface Area
58.255
Acid Dissociation Constant (pKa)
17.01
Base Dissociation Constant (pKb)
-5.30
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
31.30
4676-0382 in Drug Discovery
Included in Screening Libraries
Human Transcription Factors Annotated Library (5098 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4676-0382 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)