S397-0768 Screening compound: 2-{4-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one

S397-0768 Screening compound: 2-{4-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one
S397-0768 Screening compound: 2-{4-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0768
2-{4-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one

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

S397-0768

Molecular Formula

C21H33N5O4 (C21 H33 N5 O4)

Compound Name

2-{4-[1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carbonyl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-{4-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carbonyl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one

SMILES

COCCn1nc(C(N2CCN(CC(N3CCCCC3)=O)CC2)=O)c2c1CCOC2

InChI

InChI=1S/C21H33N5O4/c1-29-14-12-26-18-5-13-30-16-17(18)20(22-26)21(28)25-10-8-23(9-11-25)15-19(27)24-6-3-2-4-7-24/h2-16H2,1H3

InChI Key

ZNNBBOBJQQJZGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.713

Distribution Coefficient, logD

-0.714

Water Solubility, LogSw

0.41

Polar Surface Area

68.199

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.19

S397-0768 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S397-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0768?
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What is the minimum amount of S397-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0768
  • 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 S397-0768 available by request