S372-0036 Screening compound: 2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one

S372-0036 Screening compound: 2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one
S372-0036 Screening compound: 2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-0036
2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one

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

S372-0036

Molecular Formula

C16H20N4O2 (C16 H20 N4 O2)

Compound Name

2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one

IUPAC name

2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H2H7H8H9H10H-pyrazino[12-b]indazol-1-one

SMILES

O=C(CN(C=Cn1nc(CCCC2)c2c11)C1=O)N1CCCC1

InChI

InChI=1S/C16H20N4O2/c21-14(18-7-3-4-8-18)11-19-9-10-20-15(16(19)22)12-5-1-2-6-13(12)17-20/h9-10H,1-8,11H2

InChI Key

XQQZTFNIQQXHGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30468687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.336

Distribution Coefficient, logD

0.336

Water Solubility, LogSw

-0.39

Polar Surface Area

46.198

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

S372-0036 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S372-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0036?
Check Price and Availability of S372-0036, 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 S372-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0036
  • 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 S372-0036 available by request