SC58-0078 Screening compound: 2-{6-benzyl-2-[(5-methyl-2-pyridyl)methyl]-2,6-diazaspiro[3.4]oct-8-yl}-5-methyl-1,3-oxazole

SC58-0078 Screening compound: 2-{6-benzyl-2-[(5-methyl-2-pyridyl)methyl]-2,6-diazaspiro[3.4]oct-8-yl}-5-methyl-1,3-oxazole
SC58-0078 Screening compound: 2-{6-benzyl-2-[(5-methyl-2-pyridyl)methyl]-2,6-diazaspiro[3.4]oct-8-yl}-5-methyl-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC58-0078
2-{6-benzyl-2-[(5-methyl-2-pyridyl)methyl]-2,6-diazaspiro[3.4]oct-8-yl}-5-methyl-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

SC58-0078

Molecular Formula

C24H28N4O (C24 H28 N4 O)

Compound Name

2-{6-benzyl-2-[(5-methyl-2-pyridyl)methyl]-2,6-diazaspiro[3.4]oct-8-yl}-5-methyl-1,3-oxazole

IUPAC name

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

SMILES

Cc1cnc(C2C3(CN(Cc4ncc(C)cc4)C3)CN(Cc3ccccc3)C2)o1

InChI

InChI=1S/C24H28N4O/c1-18-8-9-21(25-10-18)13-28-16-24(17-28)15-27(12-20-6-4-3-5-7-20)14-22(24)23-26-11-19(2)29-23/h3-11,22H,12-17H2,1-2H3/t22-/m1/s1

InChI Key

QVABXOSUTIFTJS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD32258313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

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

3.331

Distribution Coefficient, logD

0.510

Water Solubility, LogSw

-3.15

Polar Surface Area

34.640

Acid Dissociation Constant (pKa)

25.94

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SC58-0078 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC58-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC58-0078?
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What is the minimum amount of SC58-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC58-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC58-0078
  • 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 SC58-0078 available by request