S372-0791 Screening compound: N~1~-(2,4-dimethoxybenzyl)-3-[1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl]propanamide

S372-0791 Screening compound: N~1~-(2,4-dimethoxybenzyl)-3-[1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl]propanamide
S372-0791 Screening compound: N~1~-(2,4-dimethoxybenzyl)-3-[1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-0791
N~1~-(2,4-dimethoxybenzyl)-3-[1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-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

S372-0791

Molecular Formula

C22H26N4O4 (C22 H26 N4 O4)

Compound Name

N~1~-(2,4-dimethoxybenzyl)-3-[1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl]propanamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-3-{1-oxo-1H2H7H8H9H10H-pyrazino[12-b]indazol-2-yl}propanamide

SMILES

COc1cc(OC)c(CNC(CCN(C=Cn2nc(CCCC3)c3c22)C2=O)=O)cc1

InChI

InChI=1S/C22H26N4O4/c1-29-16-8-7-15(19(13-16)30-2)14-23-20(27)9-10-25-11-12-26-21(22(25)28)17-5-3-4-6-18(17)24-26/h7-8,11-13H,3-6,9-10,14H2,1-2H3,(H,23,27)

InChI Key

VOFZFLDGNSUNNF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.597

Distribution Coefficient, logD

1.597

Water Solubility, LogSw

-2.05

Polar Surface Area

69.064

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

S372-0791 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)

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

References: we are preparing a list of scientific research reports with S372-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0791?
Check Price and Availability of S372-0791, 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 S372-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0791
  • 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 S372-0791 available by request