SC58-0228 Screening compound: 5-methyl-2-[6-methyl-2-(3-phenylpropyl)-2,6-diazaspiro[3.4]oct-8-yl]-1,3-oxazole

SC58-0228 Screening compound: 5-methyl-2-[6-methyl-2-(3-phenylpropyl)-2,6-diazaspiro[3.4]oct-8-yl]-1,3-oxazole
SC58-0228 Screening compound: 5-methyl-2-[6-methyl-2-(3-phenylpropyl)-2,6-diazaspiro[3.4]oct-8-yl]-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC58-0228
5-methyl-2-[6-methyl-2-(3-phenylpropyl)-2,6-diazaspiro[3.4]oct-8-yl]-1,3-oxazole

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

SC58-0228

Molecular Formula

C20H27N3O (C20 H27 N3 O)

Compound Name

5-methyl-2-[6-methyl-2-(3-phenylpropyl)-2,6-diazaspiro[3.4]oct-8-yl]-1,3-oxazole

IUPAC name

6-methyl-8-(5-methyl-13-oxazol-2-yl)-2-(3-phenylpropyl)-26-diazaspiro[3.4]octane

SMILES

Cc1cnc(C2C3(CN(CCCc4ccccc4)C3)CN(C)C2)o1

InChI

InChI=1S/C20H27N3O/c1-16-11-21-19(24-16)18-12-22(2)13-20(18)14-23(15-20)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11,18H,6,9-10,12-15H2,1-2H3/t18-/m1/s1

InChI Key

JEMIJGDRYBWERU-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

-0.830

Water Solubility, LogSw

-2.93

Polar Surface Area

24.922

Acid Dissociation Constant (pKa)

26.83

Base Dissociation Constant (pKb)

11.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SC58-0228 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

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 SC58-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC58-0228?
Check Price and Availability of SC58-0228, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC58-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC58-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC58-0228
  • 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 SC58-0228 available by request