4362-4662 Screening compound: 2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}propanoic acid

4362-4662 Screening compound: 2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}propanoic acid
4362-4662 Screening compound: 2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4362-4662
2-{4-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]-2-ethoxyphenoxy}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

4362-4662

Molecular Formula

C21H18O6 (C21 H18 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C=C(C(c1c2cccc1)=O)C2=O)cc1)c1OC(C)C(O)=O

InChI

InChI=1S/C21H18O6/c1-3-26-18-11-13(8-9-17(18)27-12(2)21(24)25)10-16-19(22)14-6-4-5-7-15(14)20(16)23/h4-12H,3H2,1-2H3,(H,24,25)/t12-/m0/s1

InChI Key

UIRYZYUGYZPXBC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03139313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

-0.927

Water Solubility, LogSw

-3.36

Polar Surface Area

69.040

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

4362-4662 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4362-4662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4362-4662?
Check Price and Availability of 4362-4662, 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 4362-4662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4362-4662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4362-4662
  • 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 4362-4662 available by request