N051-0001 Screening compound: N~1~-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound N051-0001
N~1~-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
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
N051-0001
Molecular Formula
C22H25NO6 (C22 H25 NO6)
Compound Name
N~1~-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
IUPAC name
N-[(10S)-34514-tetramethoxy-13-oxotricyclo[9.5.0.0^{27}]hexadeca-1(16)2(7)351114-hexaen-10-yl]acetamide
SMILES
CC(NC(CCc(c(C1=CC=C2OC)c3OC)cc(OC)c3OC)C1=CC2=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
399.44
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.976
Distribution Coefficient, logD
0.976
Water Solubility, LogSw
-1.69
Polar Surface Area
68.796
Acid Dissociation Constant (pKa)
11.94
Base Dissociation Constant (pKb)
-5.16
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.36
N051-0001 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Kinases Annotated Library (2415 compounds)
Human Receptors Annotated Library (5376 compounds)
Human Transcription Factors Annotated Library (5098 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 N051-0001 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)