SB58-0916 Screening compound: 1-{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-3-cyclopentyl-1-propanone

SB58-0916 Screening compound: 1-{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-3-cyclopentyl-1-propanone
SB58-0916 Screening compound: 1-{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-3-cyclopentyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB58-0916
1-{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-3-cyclopentyl-1-propanone

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

SB58-0916

Molecular Formula

C24H35N3O2 (C24 H35 N3 O2)

Compound Name

1-{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-3-cyclopentyl-1-propanone

IUPAC name

1-{6-benzoyl-8-[(dimethylamino)methyl]-26-diazaspiro[3.4]octan-2-yl}-3-cyclopentylpropan-1-one

SMILES

CN(C)CC(C1)C(C2)(CN2C(CCC2CCCC2)=O)CN1C(c1ccccc1)=O

InChI

InChI=1S/C24H35N3O2/c1-25(2)14-21-15-26(23(29)20-10-4-3-5-11-20)16-24(21)17-27(18-24)22(28)13-12-19-8-6-7-9-19/h3-5,10-11,19,21H,6-9,12-18H2,1-2H3/t21-/m1/s1

InChI Key

DAIULIPQRFXBRL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32248822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

-0.802

Water Solubility, LogSw

-2.45

Polar Surface Area

37.612

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SB58-0916 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with SB58-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB58-0916?
Check Price and Availability of SB58-0916, 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 SB58-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB58-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB58-0916
  • 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 SB58-0916 available by request