SA41-0006 Screening compound: [2-(4-ethoxy-3-methoxybenzyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]methanol

SA41-0006 Screening compound: [2-(4-ethoxy-3-methoxybenzyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]methanol
SA41-0006 Screening compound: [2-(4-ethoxy-3-methoxybenzyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0006
[2-(4-ethoxy-3-methoxybenzyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]methanol

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

SA41-0006

Molecular Formula

C18H28N2O3 (C18 H28 N2 O3)

Compound Name

[2-(4-ethoxy-3-methoxybenzyl)-6-methyl-2,6-diazaspiro[3.4]oct-7-yl]methanol

IUPAC name

{2-[(4-ethoxy-3-methoxyphenyl)methyl]-6-methyl-26-diazaspiro[3.4]octan-7-yl}methanol

SMILES

CCOc(ccc(CN(C1)CC11CN(C)C(CO)C1)c1)c1OC

InChI

InChI=1S/C18H28N2O3/c1-4-23-16-6-5-14(7-17(16)22-3)9-20-12-18(13-20)8-15(10-21)19(2)11-18/h5-7,15,21H,4,8-13H2,1-3H3/t15-/m0/s1

InChI Key

BBNVVQQATOKOIW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32236151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.925

Distribution Coefficient, logD

-3.885

Water Solubility, LogSw

-1.87

Polar Surface Area

39.684

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

12.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA41-0006 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA41-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0006?
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What is the minimum amount of SA41-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0006
  • 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 SA41-0006 available by request