1186-0491 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 3-chlorobenzoate

1186-0491 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 3-chlorobenzoate
1186-0491 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 3-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0491
2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 3-chlorobenzoate

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

1186-0491

Molecular Formula

C25H21ClN2O5 (C25 H21 ClN2 O5)

Compound Name

2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 3-chlorobenzoate

IUPAC name

2-[8-(morpholin-4-yl)-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl]ethyl 3-chlorobenzoate

SMILES

O=C(c1cccc(Cl)c1)OCCN(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O

InChI

InChI=1S/C25H21ClN2O5/c26-17-4-1-3-16(15-17)25(31)33-14-11-28-23(29)19-6-2-5-18-21(27-9-12-32-13-10-27)8-7-20(22(18)19)24(28)30/h1-8,15H,9-14H2

InChI Key

LNYIHZUWGGYYAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04406048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.96

Polar Surface Area

60.940

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

1186-0491 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1186-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0491?
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What is the minimum amount of 1186-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0491
  • 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 1186-0491 available by request