K786-6166 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanamide

K786-6166 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanamide
K786-6166 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6166
N-{2-[ethyl(phenyl)amino]ethyl}-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanamide

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

K786-6166

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

N-{2-[ethyl(phenyl)amino]ethyl}-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanamide

IUPAC name

N-{2-[ethyl(phenyl)amino]ethyl}-3-(3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)propanamide

SMILES

CCN(CCNC(CCN1c(cccc2)c2OCC1=O)=O)c1ccccc1

InChI

InChI=1S/C21H25N3O3/c1-2-23(17-8-4-3-5-9-17)15-13-22-20(25)12-14-24-18-10-6-7-11-19(18)27-16-21(24)26/h3-11H,2,12-16H2,1H3,(H,22,25)

InChI Key

VUCKJIGYFRJLEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.973

Water Solubility, LogSw

-2.28

Polar Surface Area

51.349

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K786-6166 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K786-6166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6166?
Check Price and Availability of K786-6166, 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 K786-6166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6166
  • 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 K786-6166 available by request