8006-7536 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

8006-7536 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
8006-7536 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7536
(2E)-3-[4-(benzyloxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

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

8006-7536

Molecular Formula

C24H20O4 (C24 H20 O4)

Compound Name

(2E)-3-[4-(benzyloxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

IUPAC name

(2E)-3-[4-(benzyloxy)phenyl]-1-(23-dihydro-14-benzodioxin-6-yl)prop-2-en-1-one

SMILES

O=C(/C=C/c(cc1)ccc1OCc1ccccc1)c(cc1)cc2c1OCCO2

InChI

InChI=1S/C24H20O4/c25-22(20-9-13-23-24(16-20)27-15-14-26-23)12-8-18-6-10-21(11-7-18)28-17-19-4-2-1-3-5-19/h1-13,16H,14-15,17H2

InChI Key

DSKIVRNHCONLNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00684404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.79

Polar Surface Area

36.265

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8006-7536 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8006-7536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7536?
Check Price and Availability of 8006-7536, 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 8006-7536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7536
  • 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 8006-7536 available by request