N124-0116 Screening compound: [(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl](morpholino)methanone

N124-0116 Screening compound: [(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl](morpholino)methanone
N124-0116 Screening compound: [(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl](morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N124-0116
[(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl](morpholino)methanone

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

N124-0116

Molecular Formula

C26H31NO9 (C26 H31 NO9)

Compound Name

[(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl](morpholino)methanone

IUPAC name

(5R6R7R8R)-6-(hydroxymethyl)-7-(morpholine-4-carbonyl)-8-(345-trimethoxyphenyl)-2H5H6H7H8H-naphtho[23-d][13]dioxol-5-ol

SMILES

COc1cc([C@@H]([C@H]([C@H](CO)[C@H]2O)C(N3CCOCC3)=O)c3c2cc2OCOc2c3)cc(OC)c1OC

InChI

InChI=1S/C26H31NO9/c1-31-20-8-14(9-21(32-2)25(20)33-3)22-15-10-18-19(36-13-35-18)11-16(15)24(29)17(12-28)23(22)26(30)27-4-6-34-7-5-27/h8-11,17,22-24,28-29H,4-7,12-13H2,1-3H3/t17-,22+,23-,24+/m0/s1

InChI Key

NQOSLCVYBYQAES-QQJYNPJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.880

Distribution Coefficient, logD

0.880

Water Solubility, LogSw

-1.43

Polar Surface Area

97.162

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

N124-0116 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N124-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N124-0116?
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What is the minimum amount of N124-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N124-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N124-0116
  • 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 N124-0116 available by request