2044-3116 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate

2044-3116 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate
2044-3116 Screening compound: 2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-3116
2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate

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

2044-3116

Molecular Formula

C25H21N3O7 (C25 H21 N3 O7)

Compound Name

2-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(OCCN(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O)=O)=O

InChI

InChI=1S/C25H21N3O7/c29-23-19-3-1-2-18-21(26-10-13-34-14-11-26)9-8-20(22(18)19)24(30)27(23)12-15-35-25(31)16-4-6-17(7-5-16)28(32)33/h1-9H,10-15H2

InChI Key

ZYYDMOKOQLWLLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.60

Polar Surface Area

94.322

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

2044-3116 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2044-3116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-3116?
Check Price and Availability of 2044-3116, 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 2044-3116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-3116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-3116
  • 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 2044-3116 available by request