1189-2488 Screening compound: 3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(dipropylamino)sulfonyl]benzoate

1189-2488 Screening compound: 3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(dipropylamino)sulfonyl]benzoate
1189-2488 Screening compound: 3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(dipropylamino)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2488
3-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-[(dipropylamino)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

1189-2488

Molecular Formula

C33H39N3O6S (C33 H39 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)S(c(cc1)ccc1C(OCCCN(C(c(cccc12)c1c1ccc2N2CCCCC2)=O)C1=O)=O)(=O)=O

InChI

InChI=1S/C33H39N3O6S/c1-3-18-35(19-4-2)43(40,41)25-14-12-24(13-15-25)33(39)42-23-9-22-36-31(37)27-11-8-10-26-29(34-20-6-5-7-21-34)17-16-28(30(26)27)32(36)38/h8,10-17H,3-7,9,18-23H2,1-2H3

InChI Key

RDZOPGMIBVTGSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

605.76

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.708

Distribution Coefficient, logD

6.708

Water Solubility, LogSw

-6.23

Polar Surface Area

84.635

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.40

1189-2488 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1189-2488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-2488?
Check Price and Availability of 1189-2488, 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 1189-2488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2488
  • 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 1189-2488 available by request