S397-0817 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0817 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0817 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0817
N-{2-[benzyl(ethyl)amino]ethyl}-1-(2-methoxyethyl)-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

S397-0817

Molecular Formula

C21H30N4O3 (C21 H30 N4 O3)

Compound Name

N-{2-[benzyl(ethyl)amino]ethyl}-1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-{2-[benzyl(ethyl)amino]ethyl}-1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

CCN(CCNC(c1nn(CCOC)c2c1COCC2)=O)Cc1ccccc1

InChI

InChI=1S/C21H30N4O3/c1-3-24(15-17-7-5-4-6-8-17)11-10-22-21(26)20-18-16-28-13-9-19(18)25(23-20)12-14-27-2/h4-8H,3,9-16H2,1-2H3,(H,22,26)

InChI Key

KSJIQVVLBLVLSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.082

Distribution Coefficient, logD

0.622

Water Solubility, LogSw

-1.93

Polar Surface Area

59.559

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with S397-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0817?
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What is the minimum amount of S397-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0817
  • 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 S397-0817 available by request