D454-0593 Screening compound: N-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}methanesulfonamide

D454-0593 Screening compound: N-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}methanesulfonamide
D454-0593 Screening compound: N-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0593
N-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}methanesulfonamide

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

D454-0593

Molecular Formula

C18H19ClN4O2S (C18 H19 ClN4 O2 S)

Compound Name

N-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}methanesulfonamide

IUPAC name

N-(4-{5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}-2-methylphenyl)methanesulfonamide

SMILES

Cc(cc(cc1)N2Cc3nc(cc(cc4)Cl)c4n3CC2)c1NS(C)(=O)=O

InChI

InChI=1S/C18H19ClN4O2S/c1-12-9-14(4-5-15(12)21-26(2,24)25)22-7-8-23-17-6-3-13(19)10-16(17)20-18(23)11-22/h3-6,9-10,21H,7-8,11H2,1-2H3

InChI Key

FUWWWYGICPXOQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.78

Polar Surface Area

55.803

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D454-0593 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D454-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0593?
Check Price and Availability of D454-0593, 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 D454-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0593
  • 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 D454-0593 available by request