4095-0067 Screening compound: [(1E)-3-[(6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}hexa-2,4-diyn-1-yl)oxy]prop-1-en-1-yl]benzene

4095-0067 Screening compound: [(1E)-3-[(6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}hexa-2,4-diyn-1-yl)oxy]prop-1-en-1-yl]benzene
4095-0067 Screening compound: [(1E)-3-[(6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}hexa-2,4-diyn-1-yl)oxy]prop-1-en-1-yl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 4095-0067
[(1E)-3-[(6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}hexa-2,4-diyn-1-yl)oxy]prop-1-en-1-yl]benzene

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

4095-0067

Molecular Formula

C24H22O2 (C24 H22 O2)

Compound Name

[(1E)-3-[(6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}hexa-2,4-diyn-1-yl)oxy]prop-1-en-1-yl]benzene

IUPAC name

[(1E)-3-[(6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}hexa-24-diyn-1-yl)oxy]prop-1-en-1-yl]benzene

SMILES

C(/C=C/c1ccccc1)OCC#CC#CCOC/C=C/c1ccccc1

InChI

InChI=1S/C24H22O2/c1(9-19-25-21-11-17-23-13-5-3-6-14-23)2-10-20-26-22-12-18-24-15-7-4-8-16-24/h3-8,11-18H,19-22H2

InChI Key

LCANUNCCXVNBEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-6.00

Polar Surface Area

16.510

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4095-0067 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4095-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4095-0067?
Check Price and Availability of 4095-0067, 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 4095-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4095-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4095-0067
  • 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 4095-0067 available by request