D454-0306 Screening compound: N-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}methanesulfonamide

D454-0306 Screening compound: N-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}methanesulfonamide
D454-0306 Screening compound: N-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0306
N-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}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

D454-0306

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

N-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}methanesulfonamide

IUPAC name

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

SMILES

COc(ccc(N1Cc2nc(cccc3)c3n2CC1)c1)c1NS(C)(=O)=O

InChI

InChI=1S/C18H20N4O3S/c1-25-17-8-7-13(11-15(17)20-26(2,23)24)21-9-10-22-16-6-4-3-5-14(16)19-18(22)12-21/h3-8,11,20H,9-10,12H2,1-2H3

InChI Key

KDDIXEHUPDSPIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-3.02

Polar Surface Area

63.433

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D454-0306 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D454-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0306?
Check Price and Availability of D454-0306, 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 D454-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0306
  • 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 D454-0306 available by request