1165-0408 Screening compound: 4-[(4-chlorophenyl)(2,6-diphenyl-4H-pyran-4-yliden)methyl]-2,6-diphenylpyranium

1165-0408 Screening compound: 4-[(4-chlorophenyl)(2,6-diphenyl-4H-pyran-4-yliden)methyl]-2,6-diphenylpyranium
1165-0408 Screening compound: 4-[(4-chlorophenyl)(2,6-diphenyl-4H-pyran-4-yliden)methyl]-2,6-diphenylpyranium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1165-0408
4-[(4-chlorophenyl)(2,6-diphenyl-4H-pyran-4-yliden)methyl]-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

1165-0408

Molecular Formula

C41H28ClO2 (C41 H28 ClO2)

Compound Name

4-[(4-chlorophenyl)(2,6-diphenyl-4H-pyran-4-yliden)methyl]-2,6-diphenylpyranium

IUPAC name

4-[(4-chlorophenyl)(26-diphenyl-4H-pyran-4-ylidene)methyl]-26-diphenyl-1lambda4-pyran-1-ylium

SMILES

Clc(cc1)ccc1C(c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1)=C1C=C(c2ccccc2)OC(c2ccccc2)=C1

InChI

InChI=1S/C41H28ClO2/c42-36-23-21-33(22-24-36)41(34-25-37(29-13-5-1-6-14-29)43-38(26-34)30-15-7-2-8-16-30)35-27-39(31-17-9-3-10-18-31)44-40(28-35)32-19-11-4-12-20-32/h1-28H/q+1

InChI Key

UEUVESSHMFXEPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01364766

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

588.12

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

10.869

Distribution Coefficient, logD

10.869

Water Solubility, LogSw

-7.05

Polar Surface Area

15.859

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1165-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1165-0408?
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What is the minimum amount of 1165-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1165-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1165-0408
  • 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 1165-0408 available by request