S397-0690 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0690 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0690 Screening compound: N-{2-[benzyl(ethyl)amino]ethyl}-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0690
N-{2-[benzyl(ethyl)amino]ethyl}-1-(propan-2-yl)-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

S397-0690

Molecular Formula

C21H30N4O2 (C21 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H30N4O2/c1-4-24(14-17-8-6-5-7-9-17)12-11-22-21(26)20-18-15-27-13-10-19(18)25(23-20)16(2)3/h5-9,16H,4,10-15H2,1-3H3,(H,22,26)

InChI Key

WOPJRZLSSFFHAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

1.633

Water Solubility, LogSw

-2.57

Polar Surface Area

51.707

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 S397-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0690?
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What is the minimum amount of S397-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0690
  • 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 S397-0690 available by request