S397-0869 Screening compound: 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0869 Screening compound: 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0869 Screening compound: 1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0869
1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-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

S397-0869

Molecular Formula

C22H23FN4O2 (C22 H23 FN4 O2)

Compound Name

1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

CN(CCc1ncccc1)C(c1nn(Cc(cc2)ccc2F)c2c1COCC2)=O

InChI

InChI=1S/C22H23FN4O2/c1-26(12-9-18-4-2-3-11-24-18)22(28)21-19-15-29-13-10-20(19)27(25-21)14-16-5-7-17(23)8-6-16/h2-8,11H,9-10,12-15H2,1H3

InChI Key

WTQAINXNOAYMMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.731

Distribution Coefficient, logD

1.730

Water Solubility, LogSw

-1.89

Polar Surface Area

48.698

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with S397-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0869?
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What is the minimum amount of S397-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0869
  • 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 S397-0869 available by request