6197-5019 Screening compound: N-[(4E)-6-methyl-2-phenyl-4H-chromen-4-ylidene]butan-2-aminium

6197-5019 Screening compound: N-[(4E)-6-methyl-2-phenyl-4H-chromen-4-ylidene]butan-2-aminium
6197-5019 Screening compound: N-[(4E)-6-methyl-2-phenyl-4H-chromen-4-ylidene]butan-2-aminium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5019
N-[(4E)-6-methyl-2-phenyl-4H-chromen-4-ylidene]butan-2-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

6197-5019

Molecular Formula

C20H22NO (C20 H22 NO)

Compound Name

N-[(4E)-6-methyl-2-phenyl-4H-chromen-4-ylidene]butan-2-aminium

IUPAC name

N-[(4E)-6-methyl-2-phenyl-4H-chromen-4-ylidene]butan-2-aminium

SMILES

CCC(C)/[NH+]=C1/c(cc(C)cc2)c2OC(c2ccccc2)=C1

InChI

InChI=1S/C20H21NO/c1-4-15(3)21-18-13-20(16-8-6-5-7-9-16)22-19-11-10-14(2)12-17(18)19/h5-13,15H,4H2,1-3H3/p+1/t15-/m0/s1

InChI Key

BJPCLUFRROGZTC-HNNXBMFYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

BF4-

Molecular Weight

292.4

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

5.912

Distribution Coefficient, logD

5.912

Water Solubility, LogSw

-5.64

Polar Surface Area

17.043

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6197-5019 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6197-5019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5019?
Check Price and Availability of 6197-5019, 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 6197-5019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5019
  • 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 6197-5019 available by request