0423-0500 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-fluoro-N~1~-(4-methoxyphenyl)benzamide

0423-0500 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-fluoro-N~1~-(4-methoxyphenyl)benzamide
0423-0500 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-fluoro-N~1~-(4-methoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0500
N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-fluoro-N~1~-(4-methoxyphenyl)benzamide

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

0423-0500

Molecular Formula

C29H23FN2O4 (C29 H23 FN2 O4)

Compound Name

N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-fluoro-N~1~-(4-methoxyphenyl)benzamide

IUPAC name

N-(3-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}propyl)-4-fluoro-N-(4-methoxyphenyl)benzamide

SMILES

COc(cc1)ccc1N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C29H23FN2O4/c1-36-23-15-13-22(14-16-23)31(27(33)20-9-11-21(30)12-10-20)17-4-18-32-28(34)24-7-2-5-19-6-3-8-25(26(19)24)29(32)35/h2-3,5-16H,4,17-18H2,1H3

InChI Key

GPTMMKULFUBPQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.052

Distribution Coefficient, logD

5.052

Water Solubility, LogSw

-5.33

Polar Surface Area

51.977

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

0423-0500 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0423-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0500?
Check Price and Availability of 0423-0500, 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 0423-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0500
  • 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 0423-0500 available by request