3966-4541 Screening compound: ethyl 4-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)benzoate

3966-4541 Screening compound: ethyl 4-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)benzoate
3966-4541 Screening compound: ethyl 4-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-4541
ethyl 4-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)benzoate

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

3966-4541

Molecular Formula

C23H23NO5 (C23 H23 NO5)

Compound Name

ethyl 4-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)benzoate

IUPAC name

ethyl 4-({[4-(4-methoxyphenyl)-26-dioxocyclohexylidene]methyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC=C(C(CC(C1)c(cc2)ccc2OC)=O)C1=O)=O

InChI

InChI=1S/C23H23NO5/c1-3-29-23(27)16-4-8-18(9-5-16)24-14-20-21(25)12-17(13-22(20)26)15-6-10-19(28-2)11-7-15/h4-11,14,17,24H,3,12-13H2,1-2H3

InChI Key

AVZHVKOAKFTMJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.26

Polar Surface Area

66.282

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 3966-4541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4541?
Check Price and Availability of 3966-4541, 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 3966-4541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4541
  • 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 3966-4541 available by request