5636-1884 Screening compound: N-(3-chloro-4-methylphenyl)-2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}acetamide

5636-1884 Screening compound: N-(3-chloro-4-methylphenyl)-2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}acetamide
5636-1884 Screening compound: N-(3-chloro-4-methylphenyl)-2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5636-1884
N-(3-chloro-4-methylphenyl)-2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}acetamide

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

5636-1884

Molecular Formula

C27H22ClNO5 (C27 H22 ClNO5)

Compound Name

N-(3-chloro-4-methylphenyl)-2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{4-[(13-dioxo-23-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}acetamide

SMILES

CCOc(cc(C=C(C(c1c2cccc1)=O)C2=O)cc1)c1OCC(Nc1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C27H22ClNO5/c1-3-33-24-13-17(12-21-26(31)19-6-4-5-7-20(19)27(21)32)9-11-23(24)34-15-25(30)29-18-10-8-16(2)22(28)14-18/h4-14H,3,15H2,1-2H3,(H,29,30)

InChI Key

ASHQDSKZUKSCSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04517220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-5.90

Polar Surface Area

64.220

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

5636-1884 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 5636-1884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5636-1884?
Check Price and Availability of 5636-1884, 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 5636-1884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5636-1884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5636-1884
  • 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 5636-1884 available by request