D170-0282 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-(4-fluorophenyl)ethanediamide

D170-0282 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-(4-fluorophenyl)ethanediamide
D170-0282 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-(4-fluorophenyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D170-0282
N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-(4-fluorophenyl)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

D170-0282

Molecular Formula

C22H25FN2O4 (C22 H25 FN2 O4)

Compound Name

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

IUPAC name

N-{[1-(34-dimethoxyphenyl)cyclopentyl]methyl}-N'-(4-fluorophenyl)ethanediamide

SMILES

COc(ccc(C1(CNC(C(Nc(cc2)ccc2F)=O)=O)CCCC1)c1)c1OC

InChI

InChI=1S/C22H25FN2O4/c1-28-18-10-5-15(13-19(18)29-2)22(11-3-4-12-22)14-24-20(26)21(27)25-17-8-6-16(23)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)(H,25,27)

InChI Key

MWBLPQHRWYDMNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

2.200

Water Solubility, LogSw

-3.69

Polar Surface Area

63.562

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D170-0282 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D170-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D170-0282?
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What is the minimum amount of D170-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D170-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D170-0282
  • 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 D170-0282 available by request