SA41-0789 Screening compound: 3-(2-methoxyphenyl)-1-{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-1-propanone

SA41-0789 Screening compound: 3-(2-methoxyphenyl)-1-{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-1-propanone
SA41-0789 Screening compound: 3-(2-methoxyphenyl)-1-{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0789
3-(2-methoxyphenyl)-1-{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-1-propanone

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

SA41-0789

Molecular Formula

C23H29N3O3 (C23 H29 N3 O3)

Compound Name

3-(2-methoxyphenyl)-1-{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-1-propanone

IUPAC name

3-(2-methoxyphenyl)-1-{6-methyl-7-[(pyridin-4-yloxy)methyl]-26-diazaspiro[3.4]octan-2-yl}propan-1-one

SMILES

CN1C(COc2ccncc2)CC(C2)(CN2C(CCc(cccc2)c2OC)=O)C1

InChI

InChI=1S/C23H29N3O3/c1-25-15-23(13-19(25)14-29-20-9-11-24-12-10-20)16-26(17-23)22(27)8-7-18-5-3-4-6-21(18)28-2/h3-6,9-12,19H,7-8,13-17H2,1-2H3/t19-/m0/s1

InChI Key

IVZWOICBQPYNHN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32236901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.907

Distribution Coefficient, logD

-1.352

Water Solubility, LogSw

-2.03

Polar Surface Area

44.402

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

SA41-0789 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA41-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0789?
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What is the minimum amount of SA41-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0789
  • 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 SA41-0789 available by request