N124-0098 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](4-isopropylpiperazino)methanone

N124-0098 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](4-isopropylpiperazino)methanone
N124-0098 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](4-isopropylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N124-0098
[(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](4-isopropylpiperazino)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

N124-0098

Molecular Formula

C29H38N2O8 (C29 H38 N2 O8)

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](4-isopropylpiperazino)methanone

IUPAC name

(5R6R7R8R)-6-(hydroxymethyl)-7-[4-(propan-2-yl)piperazine-1-carbonyl]-8-(345-trimethoxyphenyl)-2H5H6H7H8H-naphtho[23-d][13]dioxol-5-ol

SMILES

CC(C)N(CC1)CCN1C([C@@H]([C@H](CO)[C@H]1O)[C@H](c(cc2OC)cc(OC)c2OC)c2c1cc1OCOc1c2)=O

InChI

InChI=1S/C29H38N2O8/c1-16(2)30-6-8-31(9-7-30)29(34)26-20(14-32)27(33)19-13-22-21(38-15-39-22)12-18(19)25(26)17-10-23(35-3)28(37-5)24(11-17)36-4/h10-13,16,20,25-27,32-33H,6-9,14-15H2,1-5H3/t20-,25+,26-,27+/m0/s1

InChI Key

FRCRVVNYYIQSDM-ULBKPHCJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

0.991

Water Solubility, LogSw

-2.04

Polar Surface Area

93.118

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

55.17

References: we are preparing a list of scientific research reports with N124-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N124-0098?
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What is the minimum amount of N124-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N124-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N124-0098
  • 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 N124-0098 available by request