S397-0663 Screening compound: N-[2-(1H-imidazol-1-yl)ethyl]-1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

S397-0663 Screening compound: N-[2-(1H-imidazol-1-yl)ethyl]-1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
S397-0663 Screening compound: N-[2-(1H-imidazol-1-yl)ethyl]-1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0663
N-[2-(1H-imidazol-1-yl)ethyl]-1-isopropyl-1,4,6,7-tetrahydropyrano[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

S397-0663

Molecular Formula

C15H21N5O2 (C15 H21 N5 O2)

Compound Name

N-[2-(1H-imidazol-1-yl)ethyl]-1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-[2-(1H-imidazol-1-yl)ethyl]-1-(propan-2-yl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

CC(C)n1nc(C(NCCn2cncc2)=O)c2c1CCOC2

InChI

InChI=1S/C15H21N5O2/c1-11(2)20-13-3-8-22-9-12(13)14(18-20)15(21)17-5-7-19-6-4-16-10-19/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,17,21)

InChI Key

FDFFZMIGSZXYSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.049

Distribution Coefficient, logD

-0.195

Water Solubility, LogSw

-0.73

Polar Surface Area

60.821

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

S397-0663 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S397-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0663?
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What is the minimum amount of S397-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0663
  • 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 S397-0663 available by request