S397-0609 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazine

S397-0609 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazine
S397-0609 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-4-[1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0609
1-[2-(4-chlorophenoxy)ethyl]-4-[1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazine

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

S397-0609

Molecular Formula

C22H29ClN4O3 (C22 H29 ClN4 O3)

Compound Name

1-[2-(4-chlorophenoxy)ethyl]-4-[1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazine

IUPAC name

1-[2-(4-chlorophenoxy)ethyl]-4-[1-(propan-2-yl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carbonyl]piperazine

SMILES

CC(C)n1nc(C(N2CCN(CCOc(cc3)ccc3Cl)CC2)=O)c2c1CCOC2

InChI

InChI=1S/C22H29ClN4O3/c1-16(2)27-20-7-13-29-15-19(20)21(24-27)22(28)26-10-8-25(9-11-26)12-14-30-18-5-3-17(23)4-6-18/h3-6,16H,7-15H2,1-2H3

InChI Key

RXHZNVZSLHGLMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-3.08

Polar Surface Area

51.351

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

S397-0609 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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 S397-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0609?
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What is the minimum amount of S397-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0609
  • 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 S397-0609 available by request