SB58-0921 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-fluoro-4-pyridyl)methanone

SB58-0921 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-fluoro-4-pyridyl)methanone
SB58-0921 Screening compound: {6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-fluoro-4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB58-0921
{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-fluoro-4-pyridyl)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

SB58-0921

Molecular Formula

C22H25FN4O2 (C22 H25 FN4 O2)

Compound Name

{6-benzoyl-8-[(dimethylamino)methyl]-2,6-diazaspiro[3.4]oct-2-yl}(3-fluoro-4-pyridyl)methanone

IUPAC name

{[6-benzoyl-2-(3-fluoropyridine-4-carbonyl)-26-diazaspiro[3.4]octan-8-yl]methyl}dimethylamine

SMILES

CN(C)CC(C1)C(C2)(CN2C(c(ccnc2)c2F)=O)CN1C(c1ccccc1)=O

InChI

InChI=1S/C22H25FN4O2/c1-25(2)11-17-12-26(20(28)16-6-4-3-5-7-16)13-22(17)14-27(15-22)21(29)18-8-9-24-10-19(18)23/h3-10,17H,11-15H2,1-2H3/t17-/m0/s1

InChI Key

XJEVGRFISBLANR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32248825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.020

Distribution Coefficient, logD

-2.141

Water Solubility, LogSw

-1.68

Polar Surface Area

47.099

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

SB58-0921 in Drug Discovery

Included in Screening Libraries

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 SB58-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB58-0921?
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What is the minimum amount of SB58-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB58-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB58-0921
  • 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 SB58-0921 available by request