D062-0530 Screening compound: N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methoxybenzamide

D062-0530 Screening compound: N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methoxybenzamide
D062-0530 Screening compound: N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D062-0530
N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methoxybenzamide

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

D062-0530

Molecular Formula

C20H18ClNO3 (C20 H18 ClNO3)

Compound Name

N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methoxybenzamide

IUPAC name

N-[(3-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3-methoxybenzamide

SMILES

COc1cccc(C(N(Cc2ccco2)Cc2cccc(Cl)c2)=O)c1

InChI

InChI=1S/C20H18ClNO3/c1-24-18-8-3-6-16(12-18)20(23)22(14-19-9-4-10-25-19)13-15-5-2-7-17(21)11-15/h2-12H,13-14H2,1H3

InChI Key

BYECILNPTKLMDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.56

Polar Surface Area

31.470

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D062-0530 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 D062-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D062-0530?
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What is the minimum amount of D062-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D062-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D062-0530
  • 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 D062-0530 available by request