L487-0172 Screening compound: methyl 2-[(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-2-phenylquinolin-4-yl)oxy]acetate

L487-0172 Screening compound: methyl 2-[(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-2-phenylquinolin-4-yl)oxy]acetate
L487-0172 Screening compound: methyl 2-[(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-2-phenylquinolin-4-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L487-0172
methyl 2-[(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-2-phenylquinolin-4-yl)oxy]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

L487-0172

Molecular Formula

C26H21N3O6 (C26 H21 N3 O6)

Compound Name

methyl 2-[(6-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]amino}-2-phenylquinolin-4-yl)oxy]acetate

IUPAC name

methyl 2-[(6-{[(2H-13-benzodioxol-5-yl)carbamoyl]amino}-2-phenylquinolin-4-yl)oxy]acetate

SMILES

COC(COc1c(cc(cc2)NC(Nc(cc3)cc4c3OCO4)=O)c2nc(-c2ccccc2)c1)=O

InChI

InChI=1S/C26H21N3O6/c1-32-25(30)14-33-23-13-21(16-5-3-2-4-6-16)29-20-9-7-17(11-19(20)23)27-26(31)28-18-8-10-22-24(12-18)35-15-34-22/h2-13H,14-15H2,1H3,(H2,27,28,31)

InChI Key

CRHMNXIXTJXGKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27457339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.280

Water Solubility, LogSw

-5.36

Polar Surface Area

85.881

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

L487-0172 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L487-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L487-0172?
Check Price and Availability of L487-0172, 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 L487-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L487-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L487-0172
  • 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 L487-0172 available by request