6197-5082 Screening compound: N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-1-phenylmethanaminium

6197-5082 Screening compound: N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-1-phenylmethanaminium
6197-5082 Screening compound: N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-1-phenylmethanaminium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5082
N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-1-phenylmethanaminium

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

6197-5082

Molecular Formula

C22H17ClNO (C22 H17 ClNO)

Compound Name

N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-1-phenylmethanaminium

IUPAC name

N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-1-phenylmethanaminium

SMILES

Clc(cc1)cc2c1OC(c1ccccc1)=C/C2=[NH+]\Cc1ccccc1

InChI

InChI=1S/C22H16ClNO/c23-18-11-12-21-19(13-18)20(24-15-16-7-3-1-4-8-16)14-22(25-21)17-9-5-2-6-10-17/h1-14H,15H2/p+1

InChI Key

AEDWVHCAMWVPDQ-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

BF4-

Molecular Weight

346.84

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.620

Distribution Coefficient, logD

6.620

Water Solubility, LogSw

-6.63

Polar Surface Area

16.526

Acid Dissociation Constant (pKa)

31.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

6197-5082 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6197-5082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5082?
Check Price and Availability of 6197-5082, 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 6197-5082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5082
  • 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 6197-5082 available by request