D170-0287 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-[(furan-2-yl)methyl]ethanediamide

D170-0287 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-[(furan-2-yl)methyl]ethanediamide
D170-0287 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-[(furan-2-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D170-0287
N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-[(furan-2-yl)methyl]ethanediamide

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

D170-0287

Molecular Formula

C21H26N2O5 (C21 H26 N2 O5)

Compound Name

N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-[(furan-2-yl)methyl]ethanediamide

IUPAC name

N-{[1-(34-dimethoxyphenyl)cyclopentyl]methyl}-N'-[(furan-2-yl)methyl]ethanediamide

SMILES

COc(ccc(C1(CNC(C(NCc2ccco2)=O)=O)CCCC1)c1)c1OC

InChI

InChI=1S/C21H26N2O5/c1-26-17-8-7-15(12-18(17)27-2)21(9-3-4-10-21)14-23-20(25)19(24)22-13-16-6-5-11-28-16/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,22,24)(H,23,25)

InChI Key

NFLQJPZURRNJAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-3.35

Polar Surface Area

72.633

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D170-0287 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D170-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D170-0287?
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What is the minimum amount of D170-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D170-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D170-0287
  • 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 D170-0287 available by request