8015-1123 Screening compound: 2-[2-(3,4-diethoxyphenyl)-1-[(3-methoxyphenyl)amino]ethylidene]-5,5-dimethylcyclohexane-1,3-dione

8015-1123 Screening compound: 2-[2-(3,4-diethoxyphenyl)-1-[(3-methoxyphenyl)amino]ethylidene]-5,5-dimethylcyclohexane-1,3-dione
8015-1123 Screening compound: 2-[2-(3,4-diethoxyphenyl)-1-[(3-methoxyphenyl)amino]ethylidene]-5,5-dimethylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1123
2-[2-(3,4-diethoxyphenyl)-1-[(3-methoxyphenyl)amino]ethylidene]-5,5-dimethylcyclohexane-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

8015-1123

Molecular Formula

C27H33NO5 (C27 H33 NO5)

Compound Name

2-[2-(3,4-diethoxyphenyl)-1-[(3-methoxyphenyl)amino]ethylidene]-5,5-dimethylcyclohexane-1,3-dione

IUPAC name

2-[2-(34-diethoxyphenyl)-1-[(3-methoxyphenyl)amino]ethylidene]-55-dimethylcyclohexane-13-dione

SMILES

CCOc(ccc(CC(Nc1cc(OC)ccc1)=C(C(CC(C)(C)C1)=O)C1=O)c1)c1OCC

InChI

InChI=1S/C27H33NO5/c1-6-32-24-12-11-18(14-25(24)33-7-2)13-21(28-19-9-8-10-20(15-19)31-5)26-22(29)16-27(3,4)17-23(26)30/h8-12,14-15,28H,6-7,13,16-17H2,1-5H3

InChI Key

KNMVBPSEADYYGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

2.589

Water Solubility, LogSw

-4.54

Polar Surface Area

59.036

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with 8015-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1123?
Check Price and Availability of 8015-1123, 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 8015-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1123
  • 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 8015-1123 available by request