6197-5232 Screening compound: (4E)-6-ethyl-N-[4-(morpholin-4-yl)phenyl]-2-phenyl-4H-chromen-4-iminium

6197-5232 Screening compound: (4E)-6-ethyl-N-[4-(morpholin-4-yl)phenyl]-2-phenyl-4H-chromen-4-iminium
6197-5232 Screening compound: (4E)-6-ethyl-N-[4-(morpholin-4-yl)phenyl]-2-phenyl-4H-chromen-4-iminium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5232
(4E)-6-ethyl-N-[4-(morpholin-4-yl)phenyl]-2-phenyl-4H-chromen-4-iminium

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

6197-5232

Molecular Formula

C27H27N2O2 (C27 H27 N2 O2)

Compound Name

(4E)-6-ethyl-N-[4-(morpholin-4-yl)phenyl]-2-phenyl-4H-chromen-4-iminium

IUPAC name

(4E)-6-ethyl-N-[4-(morpholin-4-yl)phenyl]-2-phenyl-4H-chromen-4-iminium

SMILES

CCc(cc1)cc2c1OC(c1ccccc1)=C/C2=[NH+]\c(cc1)ccc1N1CCOCC1

InChI

InChI=1S/C27H26N2O2/c1-2-20-8-13-26-24(18-20)25(19-27(31-26)21-6-4-3-5-7-21)28-22-9-11-23(12-10-22)29-14-16-30-17-15-29/h3-13,18-19H,2,14-17H2,1H3/p+1

InChI Key

KCSVJOGLROQLJG-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

BF4-

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.166

Distribution Coefficient, logD

6.166

Water Solubility, LogSw

-5.67

Polar Surface Area

27.369

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6197-5232 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6197-5232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5232?
Check Price and Availability of 6197-5232, 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 6197-5232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5232
  • 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 6197-5232 available by request