J500-0356 Screening compound: N~4~-isopropyl-2-[(3-methyl-2-thienyl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide

J500-0356 Screening compound: N~4~-isopropyl-2-[(3-methyl-2-thienyl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide
J500-0356 Screening compound: N~4~-isopropyl-2-[(3-methyl-2-thienyl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J500-0356
N~4~-isopropyl-2-[(3-methyl-2-thienyl)methyl]-2-azaspiro[4.4]nonane-4-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

J500-0356

Molecular Formula

C18H28N2OS (C18 H28 N2 OS)

Compound Name

N~4~-isopropyl-2-[(3-methyl-2-thienyl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide

IUPAC name

2-[(3-methylthiophen-2-yl)methyl]-N-(propan-2-yl)-2-azaspiro[4.4]nonane-4-carboxamide

SMILES

CC(C)NC(C1C2(CCCC2)CN(Cc2c(C)ccs2)C1)=O

InChI

InChI=1S/C18H28N2OS/c1-13(2)19-17(21)15-10-20(11-16-14(3)6-9-22-16)12-18(15)7-4-5-8-18/h6,9,13,15H,4-5,7-8,10-12H2,1-3H3,(H,19,21)/t15-/m0/s1

InChI Key

NSCRIVIROYWVLA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32223897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

0.634

Water Solubility, LogSw

-3.24

Polar Surface Area

29.168

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

J500-0356 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J500-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J500-0356?
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What is the minimum amount of J500-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J500-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J500-0356
  • 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 J500-0356 available by request