1189-2532 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(diethylamino)sulfonyl]benzoate

1189-2532 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(diethylamino)sulfonyl]benzoate
1189-2532 Screening compound: 3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(diethylamino)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2532
3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(diethylamino)sulfonyl]benzoate

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

1189-2532

Molecular Formula

C30H33N3O7S (C30 H33 N3 O7 S)

Compound Name

3-[6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(diethylamino)sulfonyl]benzoate

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)ccc1C(OCCCN(C(c(cccc12)c1c1ccc2N2CCOCC2)=O)C1=O)=O)(=O)=O

InChI

InChI=1S/C30H33N3O7S/c1-3-32(4-2)41(37,38)22-11-9-21(10-12-22)30(36)40-18-6-15-33-28(34)24-8-5-7-23-26(31-16-19-39-20-17-31)14-13-25(27(23)24)29(33)35/h5,7-14H,3-4,6,15-20H2,1-2H3

InChI Key

MNGFCVGYSDISTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.67

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.50

Polar Surface Area

92.037

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

1189-2532 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 1189-2532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-2532?
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What is the minimum amount of 1189-2532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2532
  • 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 1189-2532 available by request