3046-8116 Screening compound: 5,5-dimethyl-2-({[(piperidin-4-yl)methyl]amino}methylidene)cyclohexane-1,3-dione

3046-8116 Screening compound: 5,5-dimethyl-2-({[(piperidin-4-yl)methyl]amino}methylidene)cyclohexane-1,3-dione
3046-8116 Screening compound: 5,5-dimethyl-2-({[(piperidin-4-yl)methyl]amino}methylidene)cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3046-8116
5,5-dimethyl-2-({[(piperidin-4-yl)methyl]amino}methylidene)cyclohexane-1,3-dione

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

3046-8116

Molecular Formula

C15H24N2O2 (C15 H24 N2 O2)

Compound Name

5,5-dimethyl-2-({[(piperidin-4-yl)methyl]amino}methylidene)cyclohexane-1,3-dione

IUPAC name

55-dimethyl-2-({[(piperidin-4-yl)methyl]amino}methylidene)cyclohexane-13-dione

SMILES

CC(C)(CC(C1=CNCC2CCNCC2)=O)CC1=O

InChI

InChI=1S/C15H24N2O2/c1-15(2)7-13(18)12(14(19)8-15)10-17-9-11-3-5-16-6-4-11/h10-11,16-17H,3-9H2,1-2H3

InChI Key

LLHCYBQHXNFAJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.238

Distribution Coefficient, logD

-4.279

Water Solubility, LogSw

-0.31

Polar Surface Area

51.940

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

10.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

References: we are preparing a list of scientific research reports with 3046-8116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8116?
Check Price and Availability of 3046-8116, 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 3046-8116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8116
  • 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 3046-8116 available by request