4477-0175 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-chlorophenoxy)acetate

4477-0175 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-chlorophenoxy)acetate
4477-0175 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-chlorophenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0175
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-(2-chlorophenoxy)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

4477-0175

Molecular Formula

C20H20ClNO3 (C20 H20 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

CC1(C)Nc(ccc(OC(COc(cccc2)c2Cl)=O)c2)c2C(C)=C1

InChI

InChI=1S/C20H20ClNO3/c1-13-11-20(2,3)22-17-9-8-14(10-15(13)17)25-19(23)12-24-18-7-5-4-6-16(18)21/h4-11,22H,12H2,1-3H3

InChI Key

JZUYUIRJTQVJEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.84

Polar Surface Area

38.806

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4477-0175 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 4477-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0175?
Check Price and Availability of 4477-0175, 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 4477-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0175
  • 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 4477-0175 available by request