D044-0047 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methylphenoxy)acetamide

D044-0047 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methylphenoxy)acetamide
D044-0047 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0047
N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methylphenoxy)acetamide

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

D044-0047

Molecular Formula

C25H30N4O2 (C25 H30 N4 O2)

Compound Name

N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methylphenoxy)acetamide

IUPAC name

N-{11-cyclohexyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}-2-(4-methylphenoxy)acetamide

SMILES

Cc(cc1)ccc1OCC(Nc(cc1)cc2c1n(CCN(C1)C3CCCCC3)c1n2)=O

InChI

InChI=1S/C25H30N4O2/c1-18-7-10-21(11-8-18)31-17-25(30)26-19-9-12-23-22(15-19)27-24-16-28(13-14-29(23)24)20-5-3-2-4-6-20/h7-12,15,20H,2-6,13-14,16-17H2,1H3,(H,26,30)

InChI Key

OYJIBJYEJDECEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.41

Polar Surface Area

44.844

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D044-0047 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D044-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0047?
Check Price and Availability of D044-0047, 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 D044-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0047
  • 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 D044-0047 available by request