S397-0668 Screening compound: N-[3-(azepan-1-yl)propyl]-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0668 Screening compound: N-[3-(azepan-1-yl)propyl]-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0668 Screening compound: N-[3-(azepan-1-yl)propyl]-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0668
N-[3-(azepan-1-yl)propyl]-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

S397-0668

Molecular Formula

C19H32N4O2 (C19 H32 N4 O2)

Compound Name

N-[3-(azepan-1-yl)propyl]-1-(propan-2-yl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-1-(propan-2-yl)-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

CC(C)n1nc(C(NCCCN2CCCCCC2)=O)c2c1CCOC2

InChI

InChI=1S/C19H32N4O2/c1-15(2)23-17-8-13-25-14-16(17)18(21-23)19(24)20-9-7-12-22-10-5-3-4-6-11-22/h15H,3-14H2,1-2H3,(H,20,24)

InChI Key

SRQCXXYKKIMSGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.667

Distribution Coefficient, logD

-0.904

Water Solubility, LogSw

-1.97

Polar Surface Area

52.334

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.95

References: we are preparing a list of scientific research reports with S397-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0668?
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What is the minimum amount of S397-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0668
  • 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 S397-0668 available by request