S372-0576 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide

S372-0576 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide
S372-0576 Screening compound: N-(2H-1,3-benzodioxol-5-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 S372-0576
N-(2H-1,3-benzodioxol-5-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

S372-0576

Molecular Formula

C20H20N4O4 (C20 H20 N4 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}propanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-{1-oxo-1H2H7H8H9H10H-pyrazino[12-b]indazol-2-yl}propanamide

SMILES

O=C(CCN(C=Cn1nc(CCCC2)c2c11)C1=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C20H20N4O4/c25-18(21-13-5-6-16-17(11-13)28-12-27-16)7-8-23-9-10-24-19(20(23)26)14-3-1-2-4-15(14)22-24/h5-6,9-11H,1-4,7-8,12H2,(H,21,25)

InChI Key

NNIXJLINAQLTKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.510

Distribution Coefficient, logD

1.510

Water Solubility, LogSw

-2.05

Polar Surface Area

69.683

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S372-0576 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Eye
  • Cancer
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S372-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0576?
Check Price and Availability of S372-0576, 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 S372-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0576
  • 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 S372-0576 available by request