1189-2520 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-dinitrobenzoate

1189-2520 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-dinitrobenzoate
1189-2520 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2520
3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-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

1189-2520

Molecular Formula

C26H22N4O9 (C26 H22 N4 O9)

Compound Name

3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-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 24-dinitrobenzoate

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1C(OCCCN(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O)=O)=O

InChI

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

InChI Key

OBXGIBXIQPLHGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838622

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

3.953

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.42

Polar Surface Area

127.402

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

1189-2520 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
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 1189-2520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-2520?
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What is the minimum amount of 1189-2520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2520
  • 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 1189-2520 available by request