N124-0211 Screening compound: N-[(2-ethoxyphenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide

N124-0211 Screening compound: N-[(2-ethoxyphenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
N124-0211 Screening compound: N-[(2-ethoxyphenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N124-0211
N-[(2-ethoxyphenyl)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

N124-0211

Molecular Formula

C31H35NO9 (C31 H35 NO9)

Compound Name

N-[(2-ethoxyphenyl)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-ethoxyphenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(345-trimethoxyphenyl)-2H5H6H7H8H-naphtho[23-d][13]dioxole-6-carboxamide

SMILES

CCOc1c(CNC([C@@H]([C@H](CO)[C@H]2O)[C@H](c(cc3OC)cc(OC)c3OC)c3c2cc2OCOc2c3)=O)cccc1

InChI

InChI=1S/C31H35NO9/c1-5-39-22-9-7-6-8-17(22)14-32-31(35)28-21(15-33)29(34)20-13-24-23(40-16-41-24)12-19(20)27(28)18-10-25(36-2)30(38-4)26(11-18)37-3/h6-13,21,27-29,33-34H,5,14-16H2,1-4H3,(H,32,35)/t21-,27+,28-,29+/m0/s1

InChI Key

MPCOPGALIBCPEP-MHTDFPPDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.802

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-3.17

Polar Surface Area

104.229

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.71

N124-0211 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N124-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N124-0211?
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What is the minimum amount of N124-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N124-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N124-0211
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of N124-0211 available by request