SA41-0728 Screening compound: cyclohexyl{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}methanone

SA41-0728 Screening compound: cyclohexyl{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}methanone
SA41-0728 Screening compound: cyclohexyl{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0728
cyclohexyl{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}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

SA41-0728

Molecular Formula

C20H29N3O2 (C20 H29 N3 O2)

Compound Name

cyclohexyl{6-methyl-7-[(4-pyridyloxy)methyl]-2,6-diazaspiro[3.4]oct-2-yl}methanone

IUPAC name

2-cyclohexanecarbonyl-6-methyl-7-[(pyridin-4-yloxy)methyl]-26-diazaspiro[3.4]octane

SMILES

CN1C(COc2ccncc2)CC(C2)(CN2C(C2CCCCC2)=O)C1

InChI

InChI=1S/C20H29N3O2/c1-22-13-20(11-17(22)12-25-18-7-9-21-10-8-18)14-23(15-20)19(24)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-15H2,1H3/t17-/m0/s1

InChI Key

SFXVKPIEXRDZAW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32236805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

-1.354

Water Solubility, LogSw

-2.09

Polar Surface Area

37.492

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

SA41-0728 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SA41-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0728?
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What is the minimum amount of SA41-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0728
  • 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 SA41-0728 available by request