S397-0677 Screening compound: N-{2-[4-(2-fluorophenyl)piperazino]ethyl}-1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

S397-0677 Screening compound: N-{2-[4-(2-fluorophenyl)piperazino]ethyl}-1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
S397-0677 Screening compound: N-{2-[4-(2-fluorophenyl)piperazino]ethyl}-1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S397-0677
N-{2-[4-(2-fluorophenyl)piperazino]ethyl}-1-isopropyl-1,4,6,7-tetrahydropyrano[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

S397-0677

Molecular Formula

C22H30FN5O2 (C22 H30 FN5 O2)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazino]ethyl}-1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

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

SMILES

CC(C)n1nc(C(NCCN(CC2)CCN2c(cccc2)c2F)=O)c2c1CCOC2

InChI

InChI=1S/C22H30FN5O2/c1-16(2)28-19-7-14-30-15-17(19)21(25-28)22(29)24-8-9-26-10-12-27(13-11-26)20-6-4-3-5-18(20)23/h3-6,16H,7-15H2,1-2H3,(H,24,29)

InChI Key

LRDOTGXQAORFMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

1.829

Water Solubility, LogSw

-2.10

Polar Surface Area

54.962

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

S397-0677 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S397-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S397-0677?
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What is the minimum amount of S397-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S397-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S397-0677
  • 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 S397-0677 available by request