D454-0048 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-morpholinoacetamide

D454-0048 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-morpholinoacetamide
D454-0048 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-morpholinoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0048
N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-morpholinoacetamide

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

D454-0048

Molecular Formula

C22H25N5O2 (C22 H25 N5 O2)

Compound Name

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

IUPAC name

2-(morpholin-4-yl)-N-(4-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)acetamide

SMILES

O=C(CN1CCOCC1)Nc(cc1)ccc1N1Cc2nc(cccc3)c3n2CC1

InChI

InChI=1S/C22H25N5O2/c28-22(16-25-11-13-29-14-12-25)23-17-5-7-18(8-6-17)26-9-10-27-20-4-2-1-3-19(20)24-21(27)15-26/h1-8H,9-16H2,(H,23,28)

InChI Key

ZUQDTNLRKQLZME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11844486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.11

Polar Surface Area

49.424

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D454-0048 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D454-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0048?
Check Price and Availability of D454-0048, 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 D454-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0048
  • 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 D454-0048 available by request