SB74-0172 Screening compound: (3S,5R)-N~3~-{[1-(4-fluorobenzyl)-4-piperidyl]methyl}-7-isopropyl-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

SB74-0172 Screening compound: (3S,5R)-N~3~-{[1-(4-fluorobenzyl)-4-piperidyl]methyl}-7-isopropyl-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide
SB74-0172 Screening compound: (3S,5R)-N~3~-{[1-(4-fluorobenzyl)-4-piperidyl]methyl}-7-isopropyl-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB74-0172
(3S,5R)-N~3~-{[1-(4-fluorobenzyl)-4-piperidyl]methyl}-7-isopropyl-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

SB74-0172

Molecular Formula

C24H35FN4O2 (C24 H35 FN4 O2)

Compound Name

(3S,5R)-N~3~-{[1-(4-fluorobenzyl)-4-piperidyl]methyl}-7-isopropyl-1-oxo-2,7-diazaspiro[4.4]nonane-3-carboxamide

IUPAC name

(3S5R)-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-1-oxo-7-(propan-2-yl)-27-diazaspiro[4.4]nonane-3-carboxamide

SMILES

CC(C)N(CC1)C[C@@]1(C[C@@H](C(NCC1CCN(Cc(cc2)ccc2F)CC1)=O)N1)C1=O

InChI

InChI=1S/C24H35FN4O2/c1-17(2)29-12-9-24(16-29)13-21(27-23(24)31)22(30)26-14-18-7-10-28(11-8-18)15-19-3-5-20(25)6-4-19/h3-6,17-18,21H,7-16H2,1-2H3,(H,26,30)(H,27,31)/t21-,24+/m0/s1

InChI Key

DRGMAPUQJHYGIC-XUZZJYLKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.005

Distribution Coefficient, logD

-2.164

Water Solubility, LogSw

-2.51

Polar Surface Area

58.538

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

SB74-0172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB74-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB74-0172?
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What is the minimum amount of SB74-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB74-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB74-0172
  • 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 SB74-0172 available by request