SB58-0927 Screening compound: {2-(cyclohexylcarbonyl)-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-6-yl}(phenyl)methanone

SB58-0927 Screening compound: {2-(cyclohexylcarbonyl)-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-6-yl}(phenyl)methanone
SB58-0927 Screening compound: {2-(cyclohexylcarbonyl)-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-6-yl}(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB58-0927
{2-(cyclohexylcarbonyl)-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-6-yl}(phenyl)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

SB58-0927

Molecular Formula

C23H33N3O2 (C23 H33 N3 O2)

Compound Name

{2-(cyclohexylcarbonyl)-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-6-yl}(phenyl)methanone

IUPAC name

({6-benzoyl-2-cyclohexanecarbonyl-26-diazaspiro[3.4]octan-8-yl}methyl)dimethylamine

SMILES

CN(C)CC(C1)C(C2)(CN2C(C2CCCCC2)=O)CN1C(c1ccccc1)=O

InChI

InChI=1S/C23H33N3O2/c1-24(2)13-20-14-25(21(27)18-9-5-3-6-10-18)15-23(20)16-26(17-23)22(28)19-11-7-4-8-12-19/h3,5-6,9-10,19-20H,4,7-8,11-17H2,1-2H3/t20-/m1/s1

InChI Key

USUXGISABCSABU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32248860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

-0.807

Water Solubility, LogSw

-2.47

Polar Surface Area

37.774

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SB58-0927 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB58-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB58-0927?
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What is the minimum amount of SB58-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB58-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB58-0927
  • 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 SB58-0927 available by request