6049-1387 Screening compound: ethyl 2-{1,3-dioxo-2-[(4-propylphenyl)methyl]-2,3-dihydro-1H-inden-2-yl}acetate

6049-1387 Screening compound: ethyl 2-{1,3-dioxo-2-[(4-propylphenyl)methyl]-2,3-dihydro-1H-inden-2-yl}acetate
6049-1387 Screening compound: ethyl 2-{1,3-dioxo-2-[(4-propylphenyl)methyl]-2,3-dihydro-1H-inden-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1387
ethyl 2-{1,3-dioxo-2-[(4-propylphenyl)methyl]-2,3-dihydro-1H-inden-2-yl}acetate

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

6049-1387

Molecular Formula

C23H24O4 (C23 H24 O4)

Compound Name

ethyl 2-{1,3-dioxo-2-[(4-propylphenyl)methyl]-2,3-dihydro-1H-inden-2-yl}acetate

IUPAC name

ethyl 2-{13-dioxo-2-[(4-propylphenyl)methyl]-23-dihydro-1H-inden-2-yl}acetate

SMILES

CCCc1ccc(CC(CC(OCC)=O)(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C23H24O4/c1-3-7-16-10-12-17(13-11-16)14-23(15-20(24)27-4-2)21(25)18-8-5-6-9-19(18)22(23)26/h5-6,8-13H,3-4,7,14-15H2,1-2H3

InChI Key

IISQSHKTDDOTQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00295036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.71

Polar Surface Area

46.705

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

6049-1387 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6049-1387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1387?
Check Price and Availability of 6049-1387, 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 6049-1387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1387
  • 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 6049-1387 available by request