N124-0042 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide

N124-0042 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
N124-0042 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-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 N124-0042
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

N124-0042

Molecular Formula

C30H37NO8 (C30 H37 NO8)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-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-(cyclohex-1-en-1-yl)ethyl]-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(NCCC3=CCCCC3)=O)c3c2cc2OCOc2c3)cc(OC)c1OC

InChI

InChI=1S/C30H37NO8/c1-35-24-11-18(12-25(36-2)29(24)37-3)26-19-13-22-23(39-16-38-22)14-20(19)28(33)21(15-32)27(26)30(34)31-10-9-17-7-5-4-6-8-17/h7,11-14,21,26-28,32-33H,4-6,8-10,15-16H2,1-3H3,(H,31,34)/t21-,26+,27-,28+/m0/s1

InChI Key

QKWFLUWGWLWRLY-GVQBMFDGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.02

Polar Surface Area

97.052

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

N124-0042 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Natural-Product-Based Library (3730 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N124-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N124-0042?
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What is the minimum amount of N124-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N124-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N124-0042
  • 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 N124-0042 available by request