N124-0207 Screening compound: N-[(2-fluorophenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
Chemical Structure Depiction of ChemDiv screening compound N124-0207
N-[(2-fluorophenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
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
N124-0207
Molecular Formula
C29H30FNO8 (C29 H30 FNO8)
Compound Name
N-[(2-fluorophenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
IUPAC name
(5R6R7R8R)-N-[(2-fluorophenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(345-trimethoxyphenyl)-2H5H6H7H8H-naphtho[23-d][13]dioxole-6-carboxamide
SMILES
COc1cc([C@@H]([C@H]([C@H](CO)[C@H]2O)C(NCc(cccc3)c3F)=O)c3c2cc2OCOc2c3)cc(OC)c1OC
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
539.56
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.567
Distribution Coefficient, logD
2.567
Water Solubility, LogSw
-3.02
Polar Surface Area
97.019
Acid Dissociation Constant (pKa)
10.40
Base Dissociation Constant (pKb)
-3.42
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
34.48
N124-0207 in Drug Discovery
Included in Screening Libraries
Natural-Product-Based Library (3730 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with N124-0207 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)