3533-0110 Screening compound: 3-(cyclohexylamino)-5-phenylcyclohex-2-en-1-one

3533-0110 Screening compound: 3-(cyclohexylamino)-5-phenylcyclohex-2-en-1-one
3533-0110 Screening compound: 3-(cyclohexylamino)-5-phenylcyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3533-0110
3-(cyclohexylamino)-5-phenylcyclohex-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

3533-0110

Molecular Formula

C18H23NO (C18 H23 NO)

Compound Name

3-(cyclohexylamino)-5-phenylcyclohex-2-en-1-one

IUPAC name

3-(cyclohexylamino)-5-phenylcyclohex-2-en-1-one

SMILES

O=C(CC(C1)c2ccccc2)C=C1NC1CCCCC1

InChI

InChI=1S/C18H23NO/c20-18-12-15(14-7-3-1-4-8-14)11-17(13-18)19-16-9-5-2-6-10-16/h1,3-4,7-8,13,15-16,19H,2,5-6,9-12H2/t15-/m0/s1

InChI Key

VESAURMHFWYJAS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01466147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.250

Water Solubility, LogSw

-4.25

Polar Surface Area

24.042

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3533-0110 in Drug Discovery

Included in Screening Libraries

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

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3533-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3533-0110?
Check Price and Availability of 3533-0110, 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 3533-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3533-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3533-0110
  • 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 3533-0110 available by request