S372-1411 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)benzamide

S372-1411 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)benzamide
S372-1411 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S372-1411
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-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

S372-1411

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CN(C=Cn2nc(CCCC3)c3c22)C2=O)cc1)NCCC1=CCCCC1

InChI

InChI=1S/C26H30N4O2/c31-25(27-15-14-19-6-2-1-3-7-19)21-12-10-20(11-13-21)18-29-16-17-30-24(26(29)32)22-8-4-5-9-23(22)28-30/h6,10-13,16-17H,1-5,7-9,14-15,18H2,(H,27,31)

InChI Key

WSBBISZOXUWVFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

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

2.643

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-2.96

Polar Surface Area

53.887

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

S372-1411 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 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:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S372-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S372-1411?
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What is the minimum amount of S372-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S372-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S372-1411
  • 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 S372-1411 available by request