N124-0173 Screening compound: (5R,6R,7R,8R)-N~6~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide

N124-0173 Screening compound: (5R,6R,7R,8R)-N~6~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide
N124-0173 Screening compound: (5R,6R,7R,8R)-N~6~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N124-0173
(5R,6R,7R,8R)-N~6~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[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

N124-0173

Molecular Formula

C34H40N2O8 (C34 H40 N2 O8)

Compound Name

(5R,6R,7R,8R)-N~6~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide

IUPAC name

(5R6R7R8R)-8-hydroxy-7-(hydroxymethyl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]-5-(345-trimethoxyphenyl)-2H5H6H7H8H-naphtho[23-d][13]dioxole-6-carboxamide

SMILES

COc1cc([C@@H]([C@H]([C@H](CO)[C@H]2O)C(NCCCN(CC3)Cc4c3cccc4)=O)c3c2cc2OCOc2c3)cc(OC)c1OC

InChI

InChI=1S/C34H40N2O8/c1-40-28-13-22(14-29(41-2)33(28)42-3)30-23-15-26-27(44-19-43-26)16-24(23)32(38)25(18-37)31(30)34(39)35-10-6-11-36-12-9-20-7-4-5-8-21(20)17-36/h4-5,7-8,13-16,25,30-32,37-38H,6,9-12,17-19H2,1-3H3,(H,35,39)/t25-,30+,31-,32+/m0/s1

InChI Key

ONYNQCZXQGZGQL-QGWJVEIISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.7

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

2.685

Distribution Coefficient, logD

1.480

Water Solubility, LogSw

-3.13

Polar Surface Area

100.505

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.12

N124-0173 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with N124-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N124-0173?
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What is the minimum amount of N124-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N124-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N124-0173
  • 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 N124-0173 available by request