L489-2047 Screening compound: 2-{6,9-difluoro-10-oxo-1H,2H,3H,4H,5H,10H-benzo[b]1,6-naphthyridin-2-yl}-N-(4-ethoxyphenyl)acetamide

L489-2047 Screening compound: 2-{6,9-difluoro-10-oxo-1H,2H,3H,4H,5H,10H-benzo[b]1,6-naphthyridin-2-yl}-N-(4-ethoxyphenyl)acetamide
L489-2047 Screening compound: 2-{6,9-difluoro-10-oxo-1H,2H,3H,4H,5H,10H-benzo[b]1,6-naphthyridin-2-yl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L489-2047
2-{6,9-difluoro-10-oxo-1H,2H,3H,4H,5H,10H-benzo[b]1,6-naphthyridin-2-yl}-N-(4-ethoxyphenyl)acetamide

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

L489-2047

Molecular Formula

C22H21F2N3O3 (C22 H21 F2 N3 O3)

Compound Name

2-{6,9-difluoro-10-oxo-1H,2H,3H,4H,5H,10H-benzo[b]1,6-naphthyridin-2-yl}-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-{69-difluoro-10-oxo-1H2H3H4H5H10H-benzo[b]16-naphthyridin-2-yl}-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CN(CC1)CC(C(c2c(cc3)F)=O)=C1Nc2c3F)=O

InChI

InChI=1S/C22H21F2N3O3/c1-2-30-14-5-3-13(4-6-14)25-19(28)12-27-10-9-18-15(11-27)22(29)20-16(23)7-8-17(24)21(20)26-18/h3-8H,2,9-12H2,1H3,(H,25,28)(H,26,29)

InChI Key

RWFCGZVXZZBZBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

1.302

Water Solubility, LogSw

-4.13

Polar Surface Area

55.935

Acid Dissociation Constant (pKa)

4.92

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L489-2047 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L489-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L489-2047?
Check Price and Availability of L489-2047, 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 L489-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L489-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L489-2047
  • 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 L489-2047 available by request