S397-0819 Screening compound: 1-(2-methoxyethyl)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0819 Screening compound: 1-(2-methoxyethyl)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0819 Screening compound: 1-(2-methoxyethyl)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0819
1-(2-methoxyethyl)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-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

S397-0819

Molecular Formula

C24H35N5O3 (C24 H35 N5 O3)

Compound Name

1-(2-methoxyethyl)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-(2-methoxyethyl)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

Cc(cccc1)c1N1CCN(CCCNC(c2nn(CCOC)c3c2COCC3)=O)CC1

InChI

InChI=1S/C24H35N5O3/c1-19-6-3-4-7-21(19)28-13-11-27(12-14-28)10-5-9-25-24(30)23-20-18-32-16-8-22(20)29(26-23)15-17-31-2/h3-4,6-7H,5,8-18H2,1-2H3,(H,25,30)

InChI Key

CQMPCLFBRUOKFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.406

Distribution Coefficient, logD

0.259

Water Solubility, LogSw

-1.95

Polar Surface Area

62.815

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

References: we are preparing a list of scientific research reports with S397-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0819?
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What is the minimum amount of S397-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0819
  • 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 S397-0819 available by request