2159-3887 Screening compound: cyclohexyl 4-(furan-2-amido)benzoate

2159-3887 Screening compound: cyclohexyl 4-(furan-2-amido)benzoate
2159-3887 Screening compound: cyclohexyl 4-(furan-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-3887
cyclohexyl 4-(furan-2-amido)benzoate

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

2159-3887

Molecular Formula

C18H19NO4 (C18 H19 NO4)

Compound Name

cyclohexyl 4-(furan-2-amido)benzoate

IUPAC name

cyclohexyl 4-(furan-2-amido)benzoate

SMILES

O=C(c1ccco1)Nc(cc1)ccc1C(OC1CCCCC1)=O

InChI

InChI=1S/C18H19NO4/c20-17(16-7-4-12-22-16)19-14-10-8-13(9-11-14)18(21)23-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6H2,(H,19,20)

InChI Key

GPXZMSSNJWJING-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01184742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-4.22

Polar Surface Area

51.992

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2159-3887 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2159-3887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-3887?
Check Price and Availability of 2159-3887, 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 2159-3887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-3887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-3887
  • 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 2159-3887 available by request