S372-0857 Screening compound: N-(1-benzylpiperidin-4-yl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide

S372-0857 Screening compound: N-(1-benzylpiperidin-4-yl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide
S372-0857 Screening compound: N-(1-benzylpiperidin-4-yl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-0857
N-(1-benzylpiperidin-4-yl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide

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

S372-0857

Molecular Formula

C25H31N5O2 (C25 H31 N5 O2)

Compound Name

N-(1-benzylpiperidin-4-yl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-3-{1-oxo-1H2H7H8H9H10H-pyrazino[12-b]indazol-2-yl}propanamide

SMILES

O=C(CCN(C=Cn1nc(CCCC2)c2c11)C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H31N5O2/c31-23(26-20-10-13-28(14-11-20)18-19-6-2-1-3-7-19)12-15-29-16-17-30-24(25(29)32)21-8-4-5-9-22(21)27-30/h1-3,6-7,16-17,20H,4-5,8-15,18H2,(H,26,31)

InChI Key

ZWVYRSVBEFQCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.626

Distribution Coefficient, logD

0.068

Water Solubility, LogSw

-1.92

Polar Surface Area

57.155

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

S372-0857 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S372-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0857?
Check Price and Availability of S372-0857, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S372-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0857
  • 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 S372-0857 available by request