S372-0074 Screening compound: methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamido)benzoate

S372-0074 Screening compound: methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamido)benzoate
S372-0074 Screening compound: methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-0074
methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamido)benzoate

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

S372-0074

Molecular Formula

C20H20N4O4 (C20 H20 N4 O4)

Compound Name

methyl 2-(2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{1-oxo-1H2H7H8H9H10H-pyrazino[12-b]indazol-2-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN(C=Cn1nc(CCCC2)c2c11)C1=O)=O)=O

InChI

InChI=1S/C20H20N4O4/c1-28-20(27)14-7-3-4-8-15(14)21-17(25)12-23-10-11-24-18(19(23)26)13-6-2-5-9-16(13)22-24/h3-4,7-8,10-11H,2,5-6,9,12H2,1H3,(H,21,25)

InChI Key

UUAMPTVPKBLEKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

1.316

Water Solubility, LogSw

-2.33

Polar Surface Area

73.065

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S372-0074 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 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

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S372-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0074?
Check Price and Availability of S372-0074, 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 S372-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0074
  • 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 S372-0074 available by request