2044-3079 Screening compound: 2-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate

2044-3079 Screening compound: 2-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate
2044-3079 Screening compound: 2-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-3079
2-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate

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

2044-3079

Molecular Formula

C26H23BrN2O4 (C26 H23 BrN2 O4)

Compound Name

2-[1,3-dioxo-6-piperidino-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 2-bromobenzoate

IUPAC name

2-[24-dioxo-8-(piperidin-1-yl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl]ethyl 2-bromobenzoate

SMILES

O=C(c(cccc1)c1Br)OCCN(C(c(cccc12)c1c1ccc2N2CCCCC2)=O)C1=O

InChI

InChI=1S/C26H23BrN2O4/c27-21-10-3-2-7-17(21)26(32)33-16-15-29-24(30)19-9-6-8-18-22(28-13-4-1-5-14-28)12-11-20(23(18)19)25(29)31/h2-3,6-12H,1,4-5,13-16H2

InChI Key

DMWKBTRSIXJVDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.369

Water Solubility, LogSw

-6.02

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

26.90

2044-3079 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 2044-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-3079?
Check Price and Availability of 2044-3079, 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 2044-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-3079
  • 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 2044-3079 available by request