N124-0053 Screening compound: N-[(3,5-difluorophenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide

N124-0053 Screening compound: N-[(3,5-difluorophenyl)methyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
N124-0053 Screening compound: N-[(3,5-difluorophenyl)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 N124-0053
N-[(3,5-difluorophenyl)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

N124-0053

Molecular Formula

C29H29F2NO8 (C29 H29 F2 NO8)

Compound Name

N-[(3,5-difluorophenyl)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-[(35-difluorophenyl)methyl]-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(NCc3cc(F)cc(F)c3)=O)c3c2cc2OCOc2c3)cc(OC)c1OC

InChI

InChI=1S/C29H29F2NO8/c1-36-23-6-15(7-24(37-2)28(23)38-3)25-18-9-21-22(40-13-39-21)10-19(18)27(34)20(12-33)26(25)29(35)32-11-14-4-16(30)8-17(31)5-14/h4-10,20,25-27,33-34H,11-13H2,1-3H3,(H,32,35)/t20-,25+,26-,27+/m0/s1

InChI Key

MHVVYXNEFLAKMB-ULBKPHCJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-2.97

Polar Surface Area

97.019

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

34.48

N124-0053 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 N124-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N124-0053?
Check Price and Availability of N124-0053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N124-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N124-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N124-0053
  • 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 N124-0053 available by request