SA41-0863 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)methanone

SA41-0863 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)methanone
SA41-0863 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0863
{7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)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

SA41-0863

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

{7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)methanone

IUPAC name

7-[(benzyloxy)methyl]-6-methyl-2-(thiophene-3-carbonyl)-26-diazaspiro[3.4]octane

SMILES

CN1C(COCc2ccccc2)CC(C2)(CN2C(c2cscc2)=O)C1

InChI

InChI=1S/C20H24N2O2S/c1-21-13-20(14-22(15-20)19(23)17-7-8-25-12-17)9-18(21)11-24-10-16-5-3-2-4-6-16/h2-8,12,18H,9-11,13-15H2,1H3/t18-/m0/s1

InChI Key

AHXKGFQVDZGZQH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32237202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

-1.158

Water Solubility, LogSw

-2.63

Polar Surface Area

29.825

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

10.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SA41-0863 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SA41-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0863?
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What is the minimum amount of SA41-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0863
  • 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 SA41-0863 available by request