4889-0221 Screening compound: 2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy}propanoic acid

4889-0221 Screening compound: 2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy}propanoic acid
4889-0221 Screening compound: 2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4889-0221
2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy}propanoic acid

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

4889-0221

Molecular Formula

C20H16O6 (C20 H16 O6)

Compound Name

2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy}propanoic acid

IUPAC name

2-{4-[(13-dioxo-23-dihydro-1H-inden-2-ylidene)methyl]-2-methoxyphenoxy}propanoic acid

SMILES

CC(C(O)=O)Oc(ccc(C=C(C(c1c2cccc1)=O)C2=O)c1)c1OC

InChI

InChI=1S/C20H16O6/c1-11(20(23)24)26-16-8-7-12(10-17(16)25-2)9-15-18(21)13-5-3-4-6-14(13)19(15)22/h3-11H,1-2H3,(H,23,24)/t11-/m0/s1

InChI Key

XZBFUHRSTKFICE-NSHDSACASA-N

MDL Number (MFCD)

MFCD02955288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

-1.073

Water Solubility, LogSw

-3.39

Polar Surface Area

69.461

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

4889-0221 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4889-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4889-0221?
Check Price and Availability of 4889-0221, 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 4889-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4889-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4889-0221
  • 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 4889-0221 available by request