3473-2830 Screening compound: ethyl 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-1-benzofuran-2-carboxylate

3473-2830 Screening compound: ethyl 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-1-benzofuran-2-carboxylate
3473-2830 Screening compound: ethyl 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3473-2830
ethyl 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-1-benzofuran-2-carboxylate

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

3473-2830

Molecular Formula

C19H24ClNO3 (C19 H24 ClNO3)

Compound Name

ethyl 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-1-benzofuran-2-carboxylate

IUPAC name

ethyl 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-1-benzofuran-2-carboxylate

SMILES

CCOC(c1c(C)c(c(Cl)c(CNC2CCCCC2)cc2)c2o1)=O

InChI

InChI=1S/C19H24ClNO3/c1-3-23-19(22)18-12(2)16-15(24-18)10-9-13(17(16)20)11-21-14-7-5-4-6-8-14/h9-10,14,21H,3-8,11H2,1-2H3

InChI Key

GTHQDOILWCWUMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00749073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-5.41

Polar Surface Area

40.800

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

3473-2830 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS BBB Library (22607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3473-2830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-2830?
Check Price and Availability of 3473-2830, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3473-2830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-2830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-2830
  • 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 3473-2830 available by request