1186-0493 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate

1186-0493 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate
1186-0493 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0493
2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate

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

1186-0493

Molecular Formula

C25H21BrN2O5 (C25 H21 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1Br)OCCN(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O

InChI

InChI=1S/C25H21BrN2O5/c26-20-7-2-1-4-16(20)25(31)33-15-12-28-23(29)18-6-3-5-17-21(27-10-13-32-14-11-27)9-8-19(22(17)18)24(28)30/h1-9H,10-15H2

InChI Key

BPYHYYLHZDGFRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04406050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.36

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

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.63

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

1186-0493 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1186-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0493?
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What is the minimum amount of 1186-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0493
  • 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 1186-0493 available by request