C106-0064 Screening compound: N-(2,4-dimethoxyphenyl)-2-(2-ethoxy-6-formylphenoxy)acetamide

C106-0064 Screening compound: N-(2,4-dimethoxyphenyl)-2-(2-ethoxy-6-formylphenoxy)acetamide
C106-0064 Screening compound: N-(2,4-dimethoxyphenyl)-2-(2-ethoxy-6-formylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C106-0064
N-(2,4-dimethoxyphenyl)-2-(2-ethoxy-6-formylphenoxy)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

C106-0064

Molecular Formula

C19H21NO6 (C19 H21 NO6)

Compound Name

N-(2,4-dimethoxyphenyl)-2-(2-ethoxy-6-formylphenoxy)acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-(2-ethoxy-6-formylphenoxy)acetamide

SMILES

CCOc(cccc1C=O)c1OCC(Nc(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C19H21NO6/c1-4-25-16-7-5-6-13(11-21)19(16)26-12-18(22)20-15-9-8-14(23-2)10-17(15)24-3/h5-11H,4,12H2,1-3H3,(H,20,22)

InChI Key

XGQJUOLDHQAHFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.824

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-3.33

Polar Surface Area

66.634

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C106-0064 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C106-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C106-0064?
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What is the minimum amount of C106-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C106-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C106-0064
  • 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 C106-0064 available by request