FF01-4587 Screening compound: (1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0~1,11~.0~2,7~]pentadeca-9,11-dien-13-one
Chemical Structure Depiction of ChemDiv screening compound FF01-4587
(1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0~1,11~.0~2,7~]pentadeca-9,11-dien-13-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
FF01-4587
Molecular Formula
C13H15NO2 (C13 H15 NO2)
Compound Name
(1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0~1,11~.0~2,7~]pentadeca-9,11-dien-13-one
IUPAC name
(1S2R8S)-14-oxa-7-azatetracyclo[6.6.1.0^{111}.0^{27}]pentadeca-911-dien-13-one
SMILES
O=C1O[C@@](C2)([C@H](CCCC3)N3[C@H]2C=C2)C2=C1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
217.27
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
1.865
Distribution Coefficient, logD
1.778
Water Solubility, LogSw
-2.06
Polar Surface Area
24.432
Acid Dissociation Constant (pKa)
27.42
Base Dissociation Constant (pKb)
6.75
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
61.54
FF01-4587 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Antiviral Annotated Library (21441 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
References: we are preparing a list of scientific research reports with FF01-4587 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)