C607-0613 Screening compound: 2-[(4-fluoro-3-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

C607-0613 Screening compound: 2-[(4-fluoro-3-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
C607-0613 Screening compound: 2-[(4-fluoro-3-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-0613
2-[(4-fluoro-3-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

C607-0613

Molecular Formula

C17H16FN3O2S (C17 H16 FN3 O2 S)

Compound Name

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

IUPAC name

11-(4-fluoro-3-methylbenzenesulfonyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

Cc(cc(cc1)S(N2Cc3nc(cccc4)c4n3CC2)(=O)=O)c1F

InChI

InChI=1S/C17H16FN3O2S/c1-12-10-13(6-7-14(12)18)24(22,23)20-8-9-21-16-5-3-2-4-15(16)19-17(21)11-20/h2-7,10H,8-9,11H2,1H3

InChI Key

RDEYFRWIKYARDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

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

3.235

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.35

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

C607-0613 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with C607-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-0613?
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What is the minimum amount of C607-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-0613
  • 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 C607-0613 available by request