S372-0811 Screening compound: 3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide

S372-0811 Screening compound: 3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide
S372-0811 Screening compound: 3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-0811
3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}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

S372-0811

Molecular Formula

C21H21F3N4O2 (C21 H21 F3 N4 O2)

Compound Name

3-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide

IUPAC name

3-{1-oxo-1H2H7H8H9H10H-pyrazino[12-b]indazol-2-yl}-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

O=C(CCN(C=Cn1nc(CCCC2)c2c11)C1=O)NCc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C21H21F3N4O2/c22-21(23,24)15-7-5-14(6-8-15)13-25-18(29)9-10-27-11-12-28-19(20(27)30)16-3-1-2-4-17(16)26-28/h5-8,11-12H,1-4,9-10,13H2,(H,25,29)

InChI Key

YASSJGZSPBCEEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.71

Polar Surface Area

53.889

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S372-0811 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 S372-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-0811?
Check Price and Availability of S372-0811, 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 S372-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-0811
  • 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 S372-0811 available by request