5586-4161 Screening compound: 5-phenyl-2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione

5586-4161 Screening compound: 5-phenyl-2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione
5586-4161 Screening compound: 5-phenyl-2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-4161
5-phenyl-2-({[2-(4-propanoylpiperazin-1-yl)ethyl]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

5586-4161

Molecular Formula

C22H29N3O3 (C22 H29 N3 O3)

Compound Name

5-phenyl-2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione

IUPAC name

5-phenyl-2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-13-dione

SMILES

CCC(N1CCN(CCNC=C(C(CC(C2)c3ccccc3)=O)C2=O)CC1)=O

InChI

InChI=1S/C22H29N3O3/c1-2-22(28)25-12-10-24(11-13-25)9-8-23-16-19-20(26)14-18(15-21(19)27)17-6-4-3-5-7-17/h3-7,16,18,23H,2,8-15H2,1H3

InChI Key

VBRAOOXASPEJKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

1.123

Water Solubility, LogSw

-1.83

Polar Surface Area

59.540

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 5586-4161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-4161?
Check Price and Availability of 5586-4161, 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 5586-4161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-4161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-4161
  • 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 5586-4161 available by request