D044-0066 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-cyclohexanecarboxamide

D044-0066 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-cyclohexanecarboxamide
D044-0066 Screening compound: N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0066
N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-cyclohexanecarboxamide

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

D044-0066

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]-1-cyclohexanecarboxamide

IUPAC name

N-[11-(2-methoxyethyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]cyclohexanecarboxamide

SMILES

COCCN1Cc2nc(cc(cc3)NC(C4CCCCC4)=O)c3n2CC1

InChI

InChI=1S/C20H28N4O2/c1-26-12-11-23-9-10-24-18-8-7-16(13-17(18)22-19(24)14-23)21-20(25)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,21,25)

InChI Key

HHOGDNKLIQVURF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06002233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

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

2.581

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-3.05

Polar Surface Area

46.789

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D044-0066 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D044-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0066?
Check Price and Availability of D044-0066, 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 D044-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0066
  • 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 D044-0066 available by request