S397-0296 Screening compound: 1-(cyclopropylmethyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

S397-0296 Screening compound: 1-(cyclopropylmethyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
S397-0296 Screening compound: 1-(cyclopropylmethyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0296
1-(cyclopropylmethyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-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

S397-0296

Molecular Formula

C24H32FN5O2 (C24 H32 FN5 O2)

Compound Name

1-(cyclopropylmethyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

1-(cyclopropylmethyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

O=C(c1nn(CC2CC2)c2c1COCC2)NCCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C24H32FN5O2/c25-20-4-1-2-5-22(20)29-13-11-28(12-14-29)10-3-9-26-24(31)23-19-17-32-15-8-21(19)30(27-23)16-18-6-7-18/h1-2,4-5,18H,3,6-17H2,(H,26,31)

InChI Key

SZIXPOVXFUXHHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.660

Water Solubility, LogSw

-2.33

Polar Surface Area

54.746

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

S397-0296 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S397-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0296?
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What is the minimum amount of S397-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0296
  • 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 S397-0296 available by request