3533-0184 Screening compound: 2-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-phenylcyclohexane-1,3-dione

3533-0184 Screening compound: 2-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-phenylcyclohexane-1,3-dione
3533-0184 Screening compound: 2-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-phenylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3533-0184
2-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-phenylcyclohexane-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

3533-0184

Molecular Formula

C22H23NO3 (C22 H23 NO3)

Compound Name

2-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-phenylcyclohexane-1,3-dione

IUPAC name

2-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-5-phenylcyclohexane-13-dione

SMILES

COc1ccc(CCNC=C(C(CC(C2)c3ccccc3)=O)C2=O)cc1

InChI

InChI=1S/C22H23NO3/c1-26-19-9-7-16(8-10-19)11-12-23-15-20-21(24)13-18(14-22(20)25)17-5-3-2-4-6-17/h2-10,15,18,23H,11-14H2,1H3

InChI Key

AKANLGXPLZMDFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02211725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.105

Water Solubility, LogSw

-3.27

Polar Surface Area

46.901

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3533-0184 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3533-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3533-0184?
Check Price and Availability of 3533-0184, 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 3533-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3533-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3533-0184
  • 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 3533-0184 available by request