D044-0075 Screening compound: 2-(4-chlorophenoxy)-N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]acetamide

D044-0075 Screening compound: 2-(4-chlorophenoxy)-N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]acetamide
D044-0075 Screening compound: 2-(4-chlorophenoxy)-N~1~-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0075
2-(4-chlorophenoxy)-N~1~-[2-(2-methoxyethyl)-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

D044-0075

Molecular Formula

C21H23ClN4O3 (C21 H23 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCN1Cc2nc(cc(cc3)NC(COc(cc4)ccc4Cl)=O)c3n2CC1

InChI

InChI=1S/C21H23ClN4O3/c1-28-11-10-25-8-9-26-19-7-4-16(12-18(19)24-20(26)13-25)23-21(27)14-29-17-5-2-15(22)3-6-17/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)

InChI Key

QIDFGWUNQMCMNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.071

Water Solubility, LogSw

-3.50

Polar Surface Area

53.883

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D044-0075 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D044-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0075?
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What is the minimum amount of D044-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0075
  • 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 D044-0075 available by request