3390-0164 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(4-methoxyphenoxy)acetate

3390-0164 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(4-methoxyphenoxy)acetate
3390-0164 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(4-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3390-0164
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(4-methoxyphenoxy)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

3390-0164

Molecular Formula

C21H23NO4 (C21 H23 NO4)

Compound Name

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

IUPAC name

224-trimethyl-12-dihydroquinolin-6-yl 2-(4-methoxyphenoxy)acetate

SMILES

CC1(C)Nc(ccc(OC(COc(cc2)ccc2OC)=O)c2)c2C(C)=C1

InChI

InChI=1S/C21H23NO4/c1-14-12-21(2,3)22-19-10-9-17(11-18(14)19)26-20(23)13-25-16-7-5-15(24-4)6-8-16/h5-12,22H,13H2,1-4H3

InChI Key

OOINWBLXVGXTCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.41

Polar Surface Area

46.263

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3390-0164 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3390-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3390-0164?
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What is the minimum amount of 3390-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3390-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3390-0164
  • 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 3390-0164 available by request