S397-0256 Screening compound: 1-(cyclopropylmethyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0256 Screening compound: 1-(cyclopropylmethyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0256 Screening compound: 1-(cyclopropylmethyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0256
1-(cyclopropylmethyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-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

S397-0256

Molecular Formula

C22H25N5O2 (C22 H25 N5 O2)

Compound Name

1-(cyclopropylmethyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-(cyclopropylmethyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

CN(Cc1cn(-c2ccccc2)nc1)C(c1nn(CC2CC2)c2c1COCC2)=O

InChI

InChI=1S/C22H25N5O2/c1-25(12-17-11-23-26(14-17)18-5-3-2-4-6-18)22(28)21-19-15-29-10-9-20(19)27(24-21)13-16-7-8-16/h2-6,11,14,16H,7-10,12-13,15H2,1H3

InChI Key

JSQANCFBLAJZKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.999

Distribution Coefficient, logD

1.999

Water Solubility, LogSw

-2.19

Polar Surface Area

54.057

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

S397-0256 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S397-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0256?
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What is the minimum amount of S397-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0256
  • 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 S397-0256 available by request