D062-0327 Screening compound: 5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

D062-0327 Screening compound: 5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
D062-0327 Screening compound: 5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D062-0327
5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

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

D062-0327

Molecular Formula

C23H19Cl2NO3 (C23 H19 Cl2 NO3)

Compound Name

5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

IUPAC name

5-chloro-N-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-36-dimethyl-1-benzofuran-2-carboxamide

SMILES

Cc(c1c2)c(C(N(Cc3ccco3)Cc(cc3)ccc3Cl)=O)oc1cc(C)c2Cl

InChI

InChI=1S/C23H19Cl2NO3/c1-14-10-21-19(11-20(14)25)15(2)22(29-21)23(27)26(13-18-4-3-9-28-18)12-16-5-7-17(24)8-6-16/h3-11H,12-13H2,1-2H3

InChI Key

ULXPFCCNLSFPOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.896

Distribution Coefficient, logD

6.896

Water Solubility, LogSw

-6.40

Polar Surface Area

32.453

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D062-0327 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 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 D062-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D062-0327?
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What is the minimum amount of D062-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D062-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D062-0327
  • 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 D062-0327 available by request