S397-0226 Screening compound: 1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0226 Screening compound: 1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0226 Screening compound: 1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0226
1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-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

S397-0226

Molecular Formula

C23H32N4O2S (C23 H32 N4 O2 S)

Compound Name

1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

CCN(CC1)CCC1N(Cc1cccs1)C(c1nn(CC2CC2)c2c1COCC2)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

0.645

Water Solubility, LogSw

-2.94

Polar Surface Area

43.288

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

S397-0226 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S397-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0226?
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What is the minimum amount of S397-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0226
  • 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 S397-0226 available by request