SB58-0958 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone

SB58-0958 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
SB58-0958 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB58-0958
{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(1-ethyl-5-methyl-1H-pyrazol-4-yl)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

SB58-0958

Molecular Formula

C23H31N5O2 (C23 H31 N5 O2)

Compound Name

{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone

IUPAC name

{[6-benzoyl-2-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-26-diazaspiro[3.4]octan-8-yl]methyl}dimethylamine

SMILES

CCn1ncc(C(N(C2)CC2(C2)C(CN(C)C)CN2C(c2ccccc2)=O)=O)c1C

InChI

InChI=1S/C23H31N5O2/c1-5-28-17(2)20(11-24-28)22(30)27-15-23(16-27)14-26(13-19(23)12-25(3)4)21(29)18-9-7-6-8-10-18/h6-11,19H,5,12-16H2,1-4H3/t19-/m1/s1

InChI Key

LYUNSRMXFFGWJG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32248898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.936

Distribution Coefficient, logD

-2.225

Water Solubility, LogSw

-2.05

Polar Surface Area

51.507

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

SB58-0958 in Drug Discovery

Included in Screening Libraries

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 SB58-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB58-0958?
Check Price and Availability of SB58-0958, 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 SB58-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB58-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB58-0958
  • 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 SB58-0958 available by request