S372-0090 Screening compound: 2-[(2,4,6-trimethylphenyl)methyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one

S372-0090 Screening compound: 2-[(2,4,6-trimethylphenyl)methyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one
S372-0090 Screening compound: 2-[(2,4,6-trimethylphenyl)methyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-0090
2-[(2,4,6-trimethylphenyl)methyl]-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

S372-0090

Molecular Formula

C20H23N3O (C20 H23 N3 O)

Compound Name

2-[(2,4,6-trimethylphenyl)methyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one

IUPAC name

2-[(246-trimethylphenyl)methyl]-1H2H7H8H9H10H-pyrazino[12-b]indazol-1-one

SMILES

Cc1cc(C)c(CN(C=Cn2nc(CCCC3)c3c22)C2=O)c(C)c1

InChI

InChI=1S/C20H23N3O/c1-13-10-14(2)17(15(3)11-13)12-22-8-9-23-19(20(22)24)16-6-4-5-7-18(16)21-23/h8-11H,4-7,12H2,1-3H3

InChI Key

XXQRIPXENQRBPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.51

Polar Surface Area

29.440

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S372-0090 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S372-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0090?
Check Price and Availability of S372-0090, 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 S372-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0090
  • 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 S372-0090 available by request