0504-0688 Screening compound: 2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

0504-0688 Screening compound: 2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
0504-0688 Screening compound: 2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0504-0688
2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

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

0504-0688

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

IUPAC name

11-(4-methylbenzenesulfonyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

Cc(cc1)ccc1S(N1Cc2nc(cccc3)c3n2CC1)(=O)=O

InChI

InChI=1S/C17H17N3O2S/c1-13-6-8-14(9-7-13)23(21,22)19-10-11-20-16-5-3-2-4-15(16)18-17(20)12-19/h2-9H,10-12H2,1H3

InChI Key

DFPDDJUKTMHYRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.18

Polar Surface Area

42.892

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

0504-0688 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases
  • Ion Channels
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0504-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0504-0688?
Check Price and Availability of 0504-0688, 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 0504-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0504-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0504-0688
  • 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 0504-0688 available by request