L487-1040 Screening compound: 3-[2-(3-chlorophenyl)-4-methoxyquinolin-6-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

L487-1040 Screening compound: 3-[2-(3-chlorophenyl)-4-methoxyquinolin-6-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
L487-1040 Screening compound: 3-[2-(3-chlorophenyl)-4-methoxyquinolin-6-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L487-1040
3-[2-(3-chlorophenyl)-4-methoxyquinolin-6-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

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

L487-1040

Molecular Formula

C25H20ClN3O4 (C25 H20 ClN3 O4)

Compound Name

3-[2-(3-chlorophenyl)-4-methoxyquinolin-6-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

IUPAC name

3-[2-(3-chlorophenyl)-4-methoxyquinolin-6-yl]-1-(23-dihydro-14-benzodioxin-6-yl)urea

SMILES

COc(c1c2)cc(-c3cccc(Cl)c3)nc1ccc2NC(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C25H20ClN3O4/c1-31-23-14-21(15-3-2-4-16(26)11-15)29-20-7-5-17(12-19(20)23)27-25(30)28-18-6-8-22-24(13-18)33-10-9-32-22/h2-8,11-14H,9-10H2,1H3,(H2,27,28,30)

InChI Key

UEWCHVXABAYGEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15128406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.672

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-6.00

Polar Surface Area

64.054

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

L487-1040 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L487-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L487-1040?
Check Price and Availability of L487-1040, 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 L487-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L487-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L487-1040
  • 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 L487-1040 available by request