8015-6474 Screening compound: 2-{1-[(3,4-diethoxyphenethyl)amino]butylidene}-1,3-cyclohexanedione

8015-6474 Screening compound: 2-{1-[(3,4-diethoxyphenethyl)amino]butylidene}-1,3-cyclohexanedione
8015-6474 Screening compound: 2-{1-[(3,4-diethoxyphenethyl)amino]butylidene}-1,3-cyclohexanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6474
2-{1-[(3,4-diethoxyphenethyl)amino]butylidene}-1,3-cyclohexanedione

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

8015-6474

Molecular Formula

C22H31NO4 (C22 H31 NO4)

Compound Name

2-{1-[(3,4-diethoxyphenethyl)amino]butylidene}-1,3-cyclohexanedione

IUPAC name

2-(1-{[2-(34-diethoxyphenyl)ethyl]amino}butylidene)cyclohexane-13-dione

SMILES

CCCC(NCCc(cc1)cc(OCC)c1OCC)=C(C(CCC1)=O)C1=O

InChI

InChI=1S/C22H31NO4/c1-4-8-17(22-18(24)9-7-10-19(22)25)23-14-13-16-11-12-20(26-5-2)21(15-16)27-6-3/h11-12,15,23H,4-10,13-14H2,1-3H3

InChI Key

FQBGXRJMMSNQQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.22

Polar Surface Area

52.928

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with 8015-6474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6474?
Check Price and Availability of 8015-6474, 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 8015-6474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6474
  • 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 8015-6474 available by request