S372-1416 Screening compound: 4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide

S372-1416 Screening compound: 4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide
S372-1416 Screening compound: 4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-1416
4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide

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

S372-1416

Molecular Formula

C28H30N4O2 (C28 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(CNC(c2ccc(CN(C=Cn3nc(CCCC4)c4c33)C3=O)cc2)=O)cc1

InChI

InChI=1S/C28H30N4O2/c1-19(2)22-11-7-20(8-12-22)17-29-27(33)23-13-9-21(10-14-23)18-31-15-16-32-26(28(31)34)24-5-3-4-6-25(24)30-32/h7-16,19H,3-6,17-18H2,1-2H3,(H,29,33)

InChI Key

AISJPIDQBCXPFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

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

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.85

Polar Surface Area

53.853

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

S372-1416 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S372-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-1416?
Check Price and Availability of S372-1416, 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 S372-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-1416
  • 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 S372-1416 available by request