SA46-0422 Screening compound: N-benzyl-2-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-5-oxa-2-azaspiro[3.4]octan-7-amine

SA46-0422 Screening compound: N-benzyl-2-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-5-oxa-2-azaspiro[3.4]octan-7-amine
SA46-0422 Screening compound: N-benzyl-2-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-5-oxa-2-azaspiro[3.4]octan-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0422
N-benzyl-2-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-5-oxa-2-azaspiro[3.4]octan-7-amine

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

SA46-0422

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

N-benzyl-2-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-5-oxa-2-azaspiro[3.4]octan-7-amine

IUPAC name

N-benzyl-2-(26-dimethoxypyridine-3-carbonyl)-N-methyl-5-oxa-2-azaspiro[3.4]octan-7-amine

SMILES

CN(Cc1ccccc1)C1COC(C2)(CN2C(c(ccc(OC)n2)c2OC)=O)C1

InChI

InChI=1S/C22H27N3O4/c1-24(12-16-7-5-4-6-8-16)17-11-22(29-13-17)14-25(15-22)21(26)18-9-10-19(27-2)23-20(18)28-3/h4-10,17H,11-15H2,1-3H3/t17-/m1/s1

InChI Key

MDDVSEASEYBVFY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32237145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.858

Distribution Coefficient, logD

2.706

Water Solubility, LogSw

-3.24

Polar Surface Area

51.507

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

SA46-0422 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA46-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0422?
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What is the minimum amount of SA46-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0422
  • 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 SA46-0422 available by request