K786-4161 Screening compound: 2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide

K786-4161 Screening compound: 2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
K786-4161 Screening compound: 2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4161
2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide

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

K786-4161

Molecular Formula

C25H32N2O4 (C25 H32 N2 O4)

Compound Name

2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide

IUPAC name

2-[(22-dimethyl-4-oxo-34-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide

SMILES

CCN(CCCNC(COc(cc1)cc2c1OC(C)(C)CC2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C25H32N2O4/c1-5-27(19-9-6-8-18(2)14-19)13-7-12-26-24(29)17-30-20-10-11-23-21(15-20)22(28)16-25(3,4)31-23/h6,8-11,14-15H,5,7,12-13,16-17H2,1-4H3,(H,26,29)

InChI Key

KKPMERVLLHYGNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-3.96

Polar Surface Area

54.350

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

K786-4161 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K786-4161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4161?
Check Price and Availability of K786-4161, 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 K786-4161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4161
  • 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 K786-4161 available by request