8013-6873 Screening compound: tricyclo[5.2.1.0~2,6~]dec-8-yl N-phenylcarbamate
Chemical Structure Depiction of ChemDiv screening compound 8013-6873
tricyclo[5.2.1.0~2,6~]dec-8-yl N-phenylcarbamate
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
8013-6873
Molecular Formula
C17H21NO2 (C17 H21 NO2)
Compound Name
tricyclo[5.2.1.0~2,6~]dec-8-yl N-phenylcarbamate
IUPAC name
tricyclo[5.2.1.0^{26}]decan-8-yl N-phenylcarbamate
SMILES
O=C(Nc1ccccc1)OC1C(C2)C(CCC3)C3C2C1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
271.36
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.882
Distribution Coefficient, logD
3.882
Water Solubility, LogSw
-3.95
Polar Surface Area
31.894
Acid Dissociation Constant (pKa)
12.34
Base Dissociation Constant (pKb)
-0.16
Number of Chiral Centers
5.00
Percent sp3 carbon bonding
58.82
8013-6873 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Receptors Annotated Library (5376 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8013-6873 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 8013-6873, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)