7599-1120 Screening compound: [3-(2-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl 2-quinolinecarboxylate

7599-1120 Screening compound: [3-(2-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl 2-quinolinecarboxylate
7599-1120 Screening compound: [3-(2-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl 2-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-1120
[3-(2-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl 2-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

7599-1120

Molecular Formula

C21H18N2O4 (C21 H18 N2 O4)

Compound Name

[3-(2-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl 2-quinolinecarboxylate

IUPAC name

[3-(2-methoxyphenyl)-45-dihydro-12-oxazol-5-yl]methyl quinoline-2-carboxylate

SMILES

COc(cccc1)c1C1=NOC(COC(c2nc3ccccc3cc2)=O)C1

InChI

InChI=1S/C21H18N2O4/c1-25-20-9-5-3-7-16(20)19-12-15(27-23-19)13-26-21(24)18-11-10-14-6-2-4-8-17(14)22-18/h2-11,15H,12-13H2,1H3

InChI Key

CHCAVISBWJCKDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04195043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-3.95

Polar Surface Area

59.893

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

7599-1120 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7599-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-1120?
Check Price and Availability of 7599-1120, 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 7599-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-1120
  • 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 7599-1120 available by request