3609-0125 Screening compound: ethyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate

3609-0125 Screening compound: ethyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
3609-0125 Screening compound: ethyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3609-0125
ethyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}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

3609-0125

Molecular Formula

C35H25NO4 (C35 H25 NO4)

Compound Name

ethyl 4-{3-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate

IUPAC name

ethyl 4-{3-[(13-dioxo-23-dihydro-1H-inden-2-ylidene)methyl]-25-diphenyl-1H-pyrrol-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-n1c(-c2ccccc2)c(C=C(C(c2c3cccc2)=O)C3=O)cc1-c1ccccc1)=O

InChI

InChI=1S/C35H25NO4/c1-2-40-35(39)25-17-19-27(20-18-25)36-31(23-11-5-3-6-12-23)22-26(32(36)24-13-7-4-8-14-24)21-30-33(37)28-15-9-10-16-29(28)34(30)38/h3-22H,2H2,1H3

InChI Key

ORJNUOIZSHZYJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.831

Distribution Coefficient, logD

7.831

Water Solubility, LogSw

-5.75

Polar Surface Area

47.481

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.70

3609-0125 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 3609-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3609-0125?
Check Price and Availability of 3609-0125, 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 3609-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3609-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3609-0125
  • 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 3609-0125 available by request