4285-0369 Screening compound: 2-{[4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione

4285-0369 Screening compound: 2-{[4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione
4285-0369 Screening compound: 2-{[4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4285-0369
2-{[4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione

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

4285-0369

Molecular Formula

C19H12O3 (C19 H12 O3)

Compound Name

2-{[4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-{[4-(prop-2-yn-1-yloxy)phenyl]methylidene}-23-dihydro-1H-indene-13-dione

SMILES

C#CCOc1ccc(C=C(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C19H12O3/c1-2-11-22-14-9-7-13(8-10-14)12-17-18(20)15-5-3-4-6-16(15)19(17)21/h1,3-10,12H,11H2

InChI Key

RDDSYYOLUXPPFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04125272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.92

Polar Surface Area

33.964

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

4285-0369 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4285-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4285-0369?
Check Price and Availability of 4285-0369, 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 4285-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4285-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4285-0369
  • 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 4285-0369 available by request