S372-0126 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide

S372-0126 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
S372-0126 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-0126
N-(5-chloro-2,4-dimethoxyphenyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide

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

S372-0126

Molecular Formula

C20H21ClN4O4 (C20 H21 ClN4 O4)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-{1-oxo-1H2H7H8H9H10H-pyrazino[12-b]indazol-2-yl}acetamide

SMILES

COc(c(NC(CN(C=Cn1nc(CCCC2)c2c11)C1=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C20H21ClN4O4/c1-28-16-10-17(29-2)15(9-13(16)21)22-18(26)11-24-7-8-25-19(20(24)27)12-5-3-4-6-14(12)23-25/h7-10H,3-6,11H2,1-2H3,(H,22,26)

InChI Key

CTCKLZQWRNPEPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-2.92

Polar Surface Area

67.152

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S372-0126 in Drug Discovery

Included in Screening Libraries

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

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 S372-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0126?
Check Price and Availability of S372-0126, 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 S372-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0126
  • 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 S372-0126 available by request