SB58-0906 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)methanone

SB58-0906 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)methanone
SB58-0906 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB58-0906
{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)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

SB58-0906

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-thienyl)methanone

IUPAC name

{[6-benzoyl-2-(thiophene-3-carbonyl)-26-diazaspiro[3.4]octan-8-yl]methyl}dimethylamine

SMILES

CN(C)CC(C1)C(C2)(CN2C(c2cscc2)=O)CN1C(c1ccccc1)=O

InChI

InChI=1S/C21H25N3O2S/c1-22(2)10-18-11-23(19(25)16-6-4-3-5-7-16)13-21(18)14-24(15-21)20(26)17-8-9-27-12-17/h3-9,12,18H,10-11,13-15H2,1-2H3/t18-/m0/s1

InChI Key

HQRNOWPIZDJGOK-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

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

1.565

Distribution Coefficient, logD

-1.597

Water Solubility, LogSw

-2.15

Polar Surface Area

38.600

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SB58-0906 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB58-0906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB58-0906?
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What is the minimum amount of SB58-0906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB58-0906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB58-0906
  • 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 SB58-0906 available by request