SB73-0818 Screening compound: (3S,5S)-N-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

SB73-0818 Screening compound: (3S,5S)-N-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide
SB73-0818 Screening compound: (3S,5S)-N-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB73-0818
(3S,5S)-N-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

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

SB73-0818

Molecular Formula

C21H30N4O4S (C21 H30 N4 O4 S)

Compound Name

(3S,5S)-N-{3-[3,4-dihydro-1(2H)-quinolinyl]propyl}-7-(methylsulfonyl)-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

IUPAC name

(3S5S)-7-methanesulfonyl-1-oxo-N-[3-(1234-tetrahydroquinolin-1-yl)propyl]-27-diazaspiro[4.4]nonane-3-carboxamide

SMILES

CS(N(CC1)C[C@]1(C[C@@H](C(NCCCN(CCC1)c2c1cccc2)=O)N1)C1=O)(=O)=O

InChI

InChI=1S/C21H30N4O4S/c1-30(28,29)25-13-9-21(15-25)14-17(23-20(21)27)19(26)22-10-5-12-24-11-4-7-16-6-2-3-8-18(16)24/h2-3,6,8,17H,4-5,7,9-15H2,1H3,(H,22,26)(H,23,27)/t17-,21+/m1/s1

InChI Key

KSFWKTJIANPNGI-UTKZUKDTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.814

Distribution Coefficient, logD

0.758

Water Solubility, LogSw

-2.30

Polar Surface Area

84.878

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

SB73-0818 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB73-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB73-0818?
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What is the minimum amount of SB73-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB73-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB73-0818
  • 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 SB73-0818 available by request