C607-0648 Screening compound: 2-[(4-bromophenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

C607-0648 Screening compound: 2-[(4-bromophenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
C607-0648 Screening compound: 2-[(4-bromophenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-0648
2-[(4-bromophenyl)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

C607-0648

Molecular Formula

C16H14BrN3O2S (C16 H14 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(cc1)ccc1Br)(N1Cc2nc(cccc3)c3n2CC1)=O

InChI

InChI=1S/C16H14BrN3O2S/c17-12-5-7-13(8-6-12)23(21,22)19-9-10-20-15-4-2-1-3-14(15)18-16(20)11-19/h1-8H,9-11H2

InChI Key

XYRPOHIVUQFLTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.28

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

3.574

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.64

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

18.80

C607-0648 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C607-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-0648?
Check Price and Availability of C607-0648, 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 C607-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-0648
  • 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 C607-0648 available by request