N124-0097 Screening compound: 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-5-ol

N124-0097 Screening compound: 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxol-5-ol
N124-0097 Screening compound: 7-[4-(4-fluorophenyl)piperazine-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 N124-0097
7-[4-(4-fluorophenyl)piperazine-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

N124-0097

Molecular Formula

C32H35FN2O8 (C32 H35 FN2 O8)

Compound Name

7-[4-(4-fluorophenyl)piperazine-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-[4-(4-fluorophenyl)piperazine-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(N(CC3)CCN3c(cc3)ccc3F)=O)c3c2cc2OCOc2c3)cc(OC)c1OC

InChI

InChI=1S/C32H35FN2O8/c1-39-26-12-18(13-27(40-2)31(26)41-3)28-21-14-24-25(43-17-42-24)15-22(21)30(37)23(16-36)29(28)32(38)35-10-8-34(9-11-35)20-6-4-19(33)5-7-20/h4-7,12-15,23,28-30,36-37H,8-11,16-17H2,1-3H3/t23-,28+,29-,30+/m0/s1

InChI Key

OBKHECHBGWRKBV-VQCLQPKNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.17

Polar Surface Area

92.514

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.63

N124-0097 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 N124-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N124-0097?
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What is the minimum amount of N124-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N124-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N124-0097
  • 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 N124-0097 available by request