N098-0051 Screening compound: 11-(5-bromo-2-hydroxybenzyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
Chemical Structure Depiction of ChemDiv screening compound N098-0051
11-(5-bromo-2-hydroxybenzyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-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
N098-0051
Molecular Formula
C18H19BrN2O2 (C18 H19 BrN2 O2)
Compound Name
11-(5-bromo-2-hydroxybenzyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
IUPAC name
11-[(5-bromo-2-hydroxyphenyl)methyl]-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-6-one
SMILES
Oc(cc1)c(CN(CC(C2)CN34)CC2C4=CC=CC3=O)cc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
375.27
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.221
Distribution Coefficient, logD
2.983
Water Solubility, LogSw
-2.94
Polar Surface Area
36.218
Acid Dissociation Constant (pKa)
10.24
Base Dissociation Constant (pKb)
7.26
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
38.90
N098-0051 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Natural Compounds Library (353 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with N098-0051 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)