SA41-0881 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2-pyridyl)methanone

SA41-0881 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2-pyridyl)methanone
SA41-0881 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0881
{7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2-pyridyl)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

SA41-0881

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

{7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2-pyridyl)methanone

IUPAC name

7-[(benzyloxy)methyl]-6-methyl-2-(pyridine-2-carbonyl)-26-diazaspiro[3.4]octane

SMILES

CN1C(COCc2ccccc2)CC(C2)(CN2C(c2ncccc2)=O)C1

InChI

InChI=1S/C21H25N3O2/c1-23-14-21(11-18(23)13-26-12-17-7-3-2-4-8-17)15-24(16-21)20(25)19-9-5-6-10-22-19/h2-10,18H,11-16H2,1H3/t18-/m0/s1

InChI Key

VAZZQQYNUCGBRS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32237301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.837

Distribution Coefficient, logD

-1.744

Water Solubility, LogSw

-1.83

Polar Surface Area

37.854

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

10.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SA41-0881 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA41-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0881?
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What is the minimum amount of SA41-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0881
  • 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 SA41-0881 available by request