2332-1020 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate

2332-1020 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate
2332-1020 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-1020
3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate

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

2332-1020

Molecular Formula

C26H22N4O9 (C26 H22 N4 O9)

Compound Name

3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate

IUPAC name

3-[10-(morpholin-4-yl)-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl]propyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(OCCCN(C(c(cccc23)c2c2ccc3N3CCOCC3)=O)C2=O)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C26H22N4O9/c31-24-20-4-1-3-19-22(27-8-11-38-12-9-27)6-5-21(23(19)20)25(32)28(24)7-2-10-39-26(33)16-13-17(29(34)35)15-18(14-16)30(36)37/h1,3-6,13-15H,2,7-12H2

InChI Key

YHCCFYXJUABXJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.48

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.47

Polar Surface Area

127.703

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

2332-1020 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2332-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-1020?
Check Price and Availability of 2332-1020, 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 2332-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-1020
  • 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 2332-1020 available by request