N124-0029 Screening compound: 7-(azepane-1-carbonyl)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-5-ol

N124-0029 Screening compound: 7-(azepane-1-carbonyl)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-5-ol
N124-0029 Screening compound: 7-(azepane-1-carbonyl)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound N124-0029
7-(azepane-1-carbonyl)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-5-ol

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

N124-0029

Molecular Formula

C28H35NO8 (C28 H35 NO8)

Compound Name

7-(azepane-1-carbonyl)-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-5-ol

IUPAC name

(5R6R7R8R)-7-(azepane-1-carbonyl)-6-(hydroxymethyl)-8-(345-trimethoxyphenyl)-2H5H6H7H8H-naphtho[23-d][13]dioxol-5-ol

SMILES

COc1cc([C@@H]([C@H]([C@H](CO)[C@H]2O)C(N3CCCCCC3)=O)c3c2cc2OCOc2c3)cc(OC)c1OC

InChI

InChI=1S/C28H35NO8/c1-33-22-10-16(11-23(34-2)27(22)35-3)24-17-12-20-21(37-15-36-20)13-18(17)26(31)19(14-30)25(24)28(32)29-8-6-4-5-7-9-29/h10-13,19,24-26,30-31H,4-9,14-15H2,1-3H3/t19-,24+,25-,26+/m0/s1

InChI Key

OKSWJSPCAFQOTF-QNMIOERPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.535

Distribution Coefficient, logD

2.535

Water Solubility, LogSw

-2.76

Polar Surface Area

89.585

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

53.57

N124-0029 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 N124-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N124-0029?
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What is the minimum amount of N124-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N124-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N124-0029
  • 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 N124-0029 available by request