6197-5087 Screening compound: N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-2-(3,4-dimethoxyphenyl)ethan-1-aminium

6197-5087 Screening compound: N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-2-(3,4-dimethoxyphenyl)ethan-1-aminium
6197-5087 Screening compound: N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-2-(3,4-dimethoxyphenyl)ethan-1-aminium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5087
N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-2-(3,4-dimethoxyphenyl)ethan-1-aminium

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

6197-5087

Molecular Formula

C25H23ClNO3 (C25 H23 ClNO3)

Compound Name

N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-2-(3,4-dimethoxyphenyl)ethan-1-aminium

IUPAC name

N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-2-(34-dimethoxyphenyl)ethan-1-aminium

SMILES

COc(ccc(CC/[NH+]=C1/c(cc(cc2)Cl)c2OC(c2ccccc2)=C1)c1)c1OC

InChI

InChI=1S/C25H22ClNO3/c1-28-23-10-8-17(14-25(23)29-2)12-13-27-21-16-24(18-6-4-3-5-7-18)30-22-11-9-19(26)15-20(21)22/h3-11,14-16H,12-13H2,1-2H3/p+1

InChI Key

PJTQTJJCCMETPW-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

BF4-

Molecular Weight

420.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.365

Distribution Coefficient, logD

6.365

Water Solubility, LogSw

-6.35

Polar Surface Area

31.629

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 6197-5087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5087?
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What is the minimum amount of 6197-5087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5087
  • 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 6197-5087 available by request