3390-0162 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-nitrophenoxy)acetate

3390-0162 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-nitrophenoxy)acetate
3390-0162 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-nitrophenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3390-0162
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-nitrophenoxy)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

3390-0162

Molecular Formula

C20H20N2O5 (C20 H20 N2 O5)

Compound Name

2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-nitrophenoxy)acetate

IUPAC name

224-trimethyl-12-dihydroquinolin-6-yl 2-(2-nitrophenoxy)acetate

SMILES

CC1(C)Nc(ccc(OC(COc(cccc2)c2[N+]([O-])=O)=O)c2)c2C(C)=C1

InChI

InChI=1S/C20H20N2O5/c1-13-11-20(2,3)21-16-9-8-14(10-15(13)16)27-19(23)12-26-18-7-5-4-6-17(18)22(24)25/h4-11,21H,12H2,1-3H3

InChI Key

YCEJBAUTEBOUMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-4.24

Polar Surface Area

71.886

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3390-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3390-0162?
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What is the minimum amount of 3390-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3390-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3390-0162
  • 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 3390-0162 available by request