1495-0670 Screening compound: 4-(3-methyl-1-phenyl-7,8-dihydro-6H-isochromen-5-yl)-2,6-diphenylpyranium

1495-0670 Screening compound: 4-(3-methyl-1-phenyl-7,8-dihydro-6H-isochromen-5-yl)-2,6-diphenylpyranium
1495-0670 Screening compound: 4-(3-methyl-1-phenyl-7,8-dihydro-6H-isochromen-5-yl)-2,6-diphenylpyranium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1495-0670
4-(3-methyl-1-phenyl-7,8-dihydro-6H-isochromen-5-yl)-2,6-diphenylpyranium

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

1495-0670

Molecular Formula

C33H27O2 (C33 H27 O2)

Compound Name

4-(3-methyl-1-phenyl-7,8-dihydro-6H-isochromen-5-yl)-2,6-diphenylpyranium

IUPAC name

4-(3-methyl-1-phenyl-78-dihydro-6H-isochromen-5-yl)-26-diphenyl-1lambda4-pyran-1-ylium

SMILES

CC(OC(c1ccccc1)=C1CCC2)=CC1=C2c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1

InChI

InChI=1S/C33H27O2/c1-23-20-30-28(18-11-19-29(30)33(34-23)26-16-9-4-10-17-26)27-21-31(24-12-5-2-6-13-24)35-32(22-27)25-14-7-3-8-15-25/h2-10,12-17,20-22H,11,18-19H2,1H3/q+1

InChI Key

AZZDFADACFUKAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245841

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.068

Distribution Coefficient, logD

8.068

Water Solubility, LogSw

-5.99

Polar Surface Area

14.964

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

References: we are preparing a list of scientific research reports with 1495-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1495-0670?
Check Price and Availability of 1495-0670, 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 1495-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1495-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1495-0670
  • 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 1495-0670 available by request