D044-0048 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methoxyphenoxy)acetamide

D044-0048 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methoxyphenoxy)acetamide
D044-0048 Screening compound: N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0048
N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-methoxyphenoxy)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

D044-0048

Molecular Formula

C25H30N4O3 (C25 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-31-20-8-10-21(11-9-20)32-17-25(30)26-18-7-12-23-22(15-18)27-24-16-28(13-14-29(23)24)19-5-3-2-4-6-19/h7-12,15,19H,2-6,13-14,16-17H2,1H3,(H,26,30)

InChI Key

PIQFWDVPCFAKCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.21

Polar Surface Area

52.387

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D044-0048 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D044-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0048?
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What is the minimum amount of D044-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0048
  • 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 D044-0048 available by request