S372-1446 Screening compound: 4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)-N-[(thiophen-2-yl)methyl]benzamide

S372-1446 Screening compound: 4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)-N-[(thiophen-2-yl)methyl]benzamide
S372-1446 Screening compound: 4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-1446
4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)-N-[(thiophen-2-yl)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

S372-1446

Molecular Formula

C23H22N4O2S (C23 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CN(C=Cn2nc(CCCC3)c3c22)C2=O)cc1)NCc1cccs1

InChI

InChI=1S/C23H22N4O2S/c28-22(24-14-18-4-3-13-30-18)17-9-7-16(8-10-17)15-26-11-12-27-21(23(26)29)19-5-1-2-6-20(19)25-27/h3-4,7-13H,1-2,5-6,14-15H2,(H,24,28)

InChI Key

VBEMXHOTTLXBPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

2.314

Water Solubility, LogSw

-2.69

Polar Surface Area

54.871

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

S372-1446 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S372-1446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-1446?
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What is the minimum amount of S372-1446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-1446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-1446
  • 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 S372-1446 available by request