3966-4537 Screening compound: 5-(4-methoxyphenyl)-3-[(2-methylpropyl)amino]cyclohex-2-en-1-one

3966-4537 Screening compound: 5-(4-methoxyphenyl)-3-[(2-methylpropyl)amino]cyclohex-2-en-1-one
3966-4537 Screening compound: 5-(4-methoxyphenyl)-3-[(2-methylpropyl)amino]cyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-4537
5-(4-methoxyphenyl)-3-[(2-methylpropyl)amino]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

3966-4537

Molecular Formula

C17H23NO2 (C17 H23 NO2)

Compound Name

5-(4-methoxyphenyl)-3-[(2-methylpropyl)amino]cyclohex-2-en-1-one

IUPAC name

5-(4-methoxyphenyl)-3-[(2-methylpropyl)amino]cyclohex-2-en-1-one

SMILES

CC(C)CNC(CC(C1)c(cc2)ccc2OC)=CC1=O

InChI

InChI=1S/C17H23NO2/c1-12(2)11-18-15-8-14(9-16(19)10-15)13-4-6-17(20-3)7-5-13/h4-7,10,12,14,18H,8-9,11H2,1-3H3/t14-/m0/s1

InChI Key

BCNQHYJWFIYQCP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02214986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-3.48

Polar Surface Area

32.132

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

3966-4537 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3966-4537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4537?
Check Price and Availability of 3966-4537, 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 3966-4537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4537
  • 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 3966-4537 available by request