D044-0049 Screening compound: 2-(4-chlorophenoxy)-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)acetamide

D044-0049 Screening compound: 2-(4-chlorophenoxy)-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)acetamide
D044-0049 Screening compound: 2-(4-chlorophenoxy)-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0049
2-(4-chlorophenoxy)-N~1~-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)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

D044-0049

Molecular Formula

C24H27ClN4O2 (C24 H27 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1Cl)Nc(cc1)cc2c1n(CCN(C1)C3CCCCC3)c1n2

InChI

InChI=1S/C24H27ClN4O2/c25-17-6-9-20(10-7-17)31-16-24(30)26-18-8-11-22-21(14-18)27-23-15-28(12-13-29(22)23)19-4-2-1-3-5-19/h6-11,14,19H,1-5,12-13,15-16H2,(H,26,30)

InChI Key

OQYOVXGJGAIQDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.96

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

4.891

Distribution Coefficient, logD

4.466

Water Solubility, LogSw

-4.92

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

41.70

D044-0049 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D044-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0049?
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What is the minimum amount of D044-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0049
  • 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 D044-0049 available by request