D044-0070 Screening compound: N-cyclohexyl-N'-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea

D044-0070 Screening compound: N-cyclohexyl-N'-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea
D044-0070 Screening compound: N-cyclohexyl-N'-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0070
N-cyclohexyl-N'-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea

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

D044-0070

Molecular Formula

C20H29N5O2 (C20 H29 N5 O2)

Compound Name

N-cyclohexyl-N'-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]urea

IUPAC name

1-cyclohexyl-3-[11-(2-methoxyethyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl]urea

SMILES

COCCN1Cc2nc(cc(cc3)NC(NC4CCCCC4)=O)c3n2CC1

InChI

InChI=1S/C20H29N5O2/c1-27-12-11-24-9-10-25-18-8-7-16(13-17(18)23-19(25)14-24)22-20(26)21-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H2,21,22,26)

InChI Key

VHPNPYTYAUDYFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.740

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.26

Polar Surface Area

56.856

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D044-0070 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D044-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0070?
Check Price and Availability of D044-0070, 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 D044-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0070
  • 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 D044-0070 available by request