S397-0245 Screening compound: 1-(cyclopropylmethyl)-N-{2-[2-(pyridin-2-yl)ethyl]phenyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0245 Screening compound: 1-(cyclopropylmethyl)-N-{2-[2-(pyridin-2-yl)ethyl]phenyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0245 Screening compound: 1-(cyclopropylmethyl)-N-{2-[2-(pyridin-2-yl)ethyl]phenyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0245
1-(cyclopropylmethyl)-N-{2-[2-(pyridin-2-yl)ethyl]phenyl}-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

S397-0245

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

1-(cyclopropylmethyl)-N-{2-[2-(pyridin-2-yl)ethyl]phenyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-(cyclopropylmethyl)-N-{2-[2-(pyridin-2-yl)ethyl]phenyl}-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

O=C(c1nn(CC2CC2)c2c1COCC2)Nc1c(CCc2ncccc2)cccc1

InChI

InChI=1S/C24H26N4O2/c29-24(23-20-16-30-14-12-22(20)28(27-23)15-17-8-9-17)26-21-7-2-1-5-18(21)10-11-19-6-3-4-13-25-19/h1-7,13,17H,8-12,14-16H2,(H,26,29)

InChI Key

DLLFZHIDVLMZIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.283

Water Solubility, LogSw

-3.43

Polar Surface Area

55.214

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S397-0245 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 S397-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0245?
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What is the minimum amount of S397-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0245
  • 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 S397-0245 available by request