3807-5044 Screening compound: ethyl 2-oxo-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]acetate

3807-5044 Screening compound: ethyl 2-oxo-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]acetate
3807-5044 Screening compound: ethyl 2-oxo-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-5044
ethyl 2-oxo-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]acetate

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

3807-5044

Molecular Formula

C35H33NO3 (C35 H33 NO3)

Compound Name

ethyl 2-oxo-2-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]acetate

IUPAC name

ethyl 2-oxo-2-[224-trimethyl-6-(triphenylmethyl)-12-dihydroquinolin-1-yl]acetate

SMILES

CCOC(C(N1c(ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2)c2C(C)=CC1(C)C)=O)=O

InChI

InChI=1S/C35H33NO3/c1-5-39-33(38)32(37)36-31-22-21-29(23-30(31)25(2)24-34(36,3)4)35(26-15-9-6-10-16-26,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-24H,5H2,1-4H3

InChI Key

FHEDRKXMHIGCDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.227

Distribution Coefficient, logD

8.227

Water Solubility, LogSw

-5.72

Polar Surface Area

34.535

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3807-5044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-5044?
Check Price and Availability of 3807-5044, 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 3807-5044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-5044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-5044
  • 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 3807-5044 available by request