L449-1011 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-phenyl-2H-chromene-3-carboxamide

L449-1011 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-phenyl-2H-chromene-3-carboxamide
L449-1011 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-phenyl-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L449-1011
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-phenyl-2H-chromene-3-carboxamide

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

L449-1011

Molecular Formula

C24H19NO4 (C24 H19 NO4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-phenyl-2H-chromene-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-phenyl-2H-chromene-3-carboxamide

SMILES

O=C(C1=Cc(cc(cc2)-c3ccccc3)c2OC1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H19NO4/c26-24(25-13-16-6-8-22-23(10-16)29-15-28-22)20-12-19-11-18(7-9-21(19)27-14-20)17-4-2-1-3-5-17/h1-12H,13-15H2,(H,25,26)

InChI Key

WSJIYPHJBHXURB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

5.022

Water Solubility, LogSw

-5.23

Polar Surface Area

49.866

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L449-1011 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L449-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L449-1011?
Check Price and Availability of L449-1011, 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 L449-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L449-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L449-1011
  • 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 L449-1011 available by request