4582-0211 Screening compound: ethyl 6-[(ethoxycarbonyl)oxy]-2,2,4-trimethyl-1(2H)-quinolinecarboxylate

4582-0211 Screening compound: ethyl 6-[(ethoxycarbonyl)oxy]-2,2,4-trimethyl-1(2H)-quinolinecarboxylate
4582-0211 Screening compound: ethyl 6-[(ethoxycarbonyl)oxy]-2,2,4-trimethyl-1(2H)-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0211
ethyl 6-[(ethoxycarbonyl)oxy]-2,2,4-trimethyl-1(2H)-quinolinecarboxylate

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

4582-0211

Molecular Formula

C18H23NO5 (C18 H23 NO5)

Compound Name

ethyl 6-[(ethoxycarbonyl)oxy]-2,2,4-trimethyl-1(2H)-quinolinecarboxylate

IUPAC name

n/a

SMILES

CCOC(N1c(ccc(OC(OCC)=O)c2)c2C(C)=CC1(C)C)=O

InChI

InChI=1S/C18H23NO5/c1-6-22-16(20)19-15-9-8-13(24-17(21)23-7-2)10-14(15)12(3)11-18(19,4)5/h8-11H,6-7H2,1-5H3

InChI Key

UWZZDZNGXRTAFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03164981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-3.94

Polar Surface Area

49.414

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

4582-0211 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4582-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0211?
Check Price and Availability of 4582-0211, 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 4582-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0211
  • 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 4582-0211 available by request