SB58-0749 Screening compound: 1-{6-benzyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-2-(3-methylphenoxy)-1-ethanone

SB58-0749 Screening compound: 1-{6-benzyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-2-(3-methylphenoxy)-1-ethanone
SB58-0749 Screening compound: 1-{6-benzyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-2-(3-methylphenoxy)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB58-0749
1-{6-benzyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-2-(3-methylphenoxy)-1-ethanone

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

SB58-0749

Molecular Formula

C25H33N3O2 (C25 H33 N3 O2)

Compound Name

1-{6-benzyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}-2-(3-methylphenoxy)-1-ethanone

IUPAC name

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

SMILES

Cc1cccc(OCC(N(C2)CC22C(CN(C)C)CN(Cc3ccccc3)C2)=O)c1

InChI

InChI=1S/C25H33N3O2/c1-20-8-7-11-23(12-20)30-16-24(29)28-18-25(19-28)17-27(15-22(25)14-26(2)3)13-21-9-5-4-6-10-21/h4-12,22H,13-19H2,1-3H3/t22-/m0/s1

InChI Key

DDNRRFGDMKPEDZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD32248697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

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

2.712

Distribution Coefficient, logD

-1.528

Water Solubility, LogSw

-2.85

Polar Surface Area

31.638

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

11.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

SB58-0749 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB58-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB58-0749?
Check Price and Availability of SB58-0749, 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 SB58-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB58-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB58-0749
  • 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 SB58-0749 available by request