D220-0047 Screening compound: 2-(3,4-dimethylphenoxy)-N-[(furan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]acetamide

D220-0047 Screening compound: 2-(3,4-dimethylphenoxy)-N-[(furan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]acetamide
D220-0047 Screening compound: 2-(3,4-dimethylphenoxy)-N-[(furan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D220-0047
2-(3,4-dimethylphenoxy)-N-[(furan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]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

D220-0047

Molecular Formula

C20H21NO3S (C20 H21 NO3 S)

Compound Name

2-(3,4-dimethylphenoxy)-N-[(furan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-(34-dimethylphenoxy)-N-[(furan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]acetamide

SMILES

Cc(cc1)c(C)cc1OCC(N(Cc1ccco1)Cc1cccs1)=O

InChI

InChI=1S/C20H21NO3S/c1-15-7-8-17(11-16(15)2)24-14-20(22)21(12-18-5-3-9-23-18)13-19-6-4-10-25-19/h3-11H,12-14H2,1-2H3

InChI Key

KWJCHUBTUOCCAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.35

Polar Surface Area

31.917

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D220-0047 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D220-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D220-0047?
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What is the minimum amount of D220-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D220-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D220-0047
  • 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 D220-0047 available by request