1189-2481 Screening compound: 3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-dichlorobenzoate

1189-2481 Screening compound: 3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-dichlorobenzoate
1189-2481 Screening compound: 3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2481
3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-dichlorobenzoate

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

1189-2481

Molecular Formula

C27H24Cl2N2O4 (C27 H24 Cl2 N2 O4)

Compound Name

3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 2,4-dichlorobenzoate

IUPAC name

3-[24-dioxo-10-(piperidin-1-yl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl]propyl 24-dichlorobenzoate

SMILES

O=C(c(ccc(Cl)c1)c1Cl)OCCCN(C(c(cccc12)c1c1ccc2N2CCCCC2)=O)C1=O

InChI

InChI=1S/C27H24Cl2N2O4/c28-17-8-9-18(22(29)16-17)27(34)35-15-5-14-31-25(32)20-7-4-6-19-23(30-12-2-1-3-13-30)11-10-21(24(19)20)26(31)33/h4,6-11,16H,1-3,5,12-15H2

InChI Key

MKHJGWWAOACYLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01412570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.676

Distribution Coefficient, logD

6.676

Water Solubility, LogSw

-6.59

Polar Surface Area

53.032

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

1189-2481 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 1189-2481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-2481?
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What is the minimum amount of 1189-2481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2481
  • 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 1189-2481 available by request