SB52-0302 Screening compound: 3-{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-3-yl}-5-phenyl-1,2,4-oxadiazole

SB52-0302 Screening compound: 3-{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-3-yl}-5-phenyl-1,2,4-oxadiazole
SB52-0302 Screening compound: 3-{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-3-yl}-5-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB52-0302
3-{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-3-yl}-5-phenyl-1,2,4-oxadiazole

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

SB52-0302

Molecular Formula

C24H32N6O (C24 H32 N6 O)

Compound Name

3-{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-3-yl}-5-phenyl-1,2,4-oxadiazole

IUPAC name

2-methyl-3-(5-phenyl-124-oxadiazol-3-yl)-8-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-28-diazaspiro[4.5]decane

SMILES

CC(C)n1ncc(CN2CCC(C3)(CN(C)C3c3noc(-c4ccccc4)n3)CC2)c1

InChI

InChI=1S/C24H32N6O/c1-18(2)30-16-19(14-25-30)15-29-11-9-24(10-12-29)13-21(28(3)17-24)22-26-23(31-27-22)20-7-5-4-6-8-20/h4-8,14,16,18,21H,9-13,15,17H2,1-3H3/t21-/m0/s1

InChI Key

ZHBYHMQKNDSNKE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32248032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.049

Distribution Coefficient, logD

-3.659

Water Solubility, LogSw

-2.96

Polar Surface Area

53.945

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

14.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

SB52-0302 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB52-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB52-0302?
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What is the minimum amount of SB52-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB52-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB52-0302
  • 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 SB52-0302 available by request