D454-0041 Screening compound: N~3~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}nicotinamide

D454-0041 Screening compound: N~3~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}nicotinamide
D454-0041 Screening compound: N~3~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0041
N~3~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}nicotinamide

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

D454-0041

Molecular Formula

C22H19N5O (C22 H19 N5 O)

Compound Name

N~3~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}nicotinamide

IUPAC name

N-(4-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)Nc(cc1)ccc1N1Cc2nc(cccc3)c3n2CC1

InChI

InChI=1S/C22H19N5O/c28-22(16-4-3-11-23-14-16)24-17-7-9-18(10-8-17)26-12-13-27-20-6-2-1-5-19(20)25-21(27)15-26/h1-11,14H,12-13,15H2,(H,24,28)

InChI Key

YVRRUINVKQQKFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.18

Polar Surface Area

47.243

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D454-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D454-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0041?
Check Price and Availability of D454-0041, 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 D454-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0041
  • 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 D454-0041 available by request