3456-1587 Screening compound: 3-[(4-ethylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

3456-1587 Screening compound: 3-[(4-ethylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one
3456-1587 Screening compound: 3-[(4-ethylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-1587
3-[(4-ethylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

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

3456-1587

Molecular Formula

C18H19NO2 (C18 H19 NO2)

Compound Name

3-[(4-ethylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

IUPAC name

3-[(4-ethylphenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

SMILES

CCc(cc1)ccc1NC(CC(C1)c2ccco2)=CC1=O

InChI

InChI=1S/C18H19NO2/c1-2-13-5-7-15(8-6-13)19-16-10-14(11-17(20)12-16)18-4-3-9-21-18/h3-9,12,14,19H,2,10-11H2,1H3/t14-/m0/s1

InChI Key

RJWVFJFBDGXFOS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01954271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-4.13

Polar Surface Area

31.573

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

3456-1587 in Drug Discovery

Included in Screening Libraries

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

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3456-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-1587?
Check Price and Availability of 3456-1587, 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 3456-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-1587
  • 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 3456-1587 available by request