2888-0032 Screening compound: 3-(cyclopentylamino)-5-phenylcyclohex-2-en-1-one

2888-0032 Screening compound: 3-(cyclopentylamino)-5-phenylcyclohex-2-en-1-one
2888-0032 Screening compound: 3-(cyclopentylamino)-5-phenylcyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2888-0032
3-(cyclopentylamino)-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

2888-0032

Molecular Formula

C17H21NO (C17 H21 NO)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1)c2ccccc2)C=C1NC1CCCC1

InChI

InChI=1S/C17H21NO/c19-17-11-14(13-6-2-1-3-7-13)10-16(12-17)18-15-8-4-5-9-15/h1-3,6-7,12,14-15,18H,4-5,8-11H2/t14-/m0/s1

InChI Key

BZQNXHSOCBDSNX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01825258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.36

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

3.802

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-4.00

Polar Surface Area

24.408

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

2888-0032 in Drug Discovery

Included in Screening Libraries

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

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2888-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2888-0032?
Check Price and Availability of 2888-0032, 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 2888-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2888-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2888-0032
  • 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 2888-0032 available by request