K786-4735 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide

K786-4735 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
K786-4735 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4735
N~1~-[2-(1-cyclohexenyl)ethyl]-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)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

K786-4735

Molecular Formula

C20H26N2O3 (C20 H26 N2 O3)

Compound Name

N~1~-[2-(1-cyclohexenyl)ethyl]-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide

IUPAC name

n/a

SMILES

CCC1Oc(cccc2)c2N(CC(NCCC2=CCCCC2)=O)C1=O

InChI

InChI=1S/C20H26N2O3/c1-2-17-20(24)22(16-10-6-7-11-18(16)25-17)14-19(23)21-13-12-15-8-4-3-5-9-15/h6-8,10-11,17H,2-5,9,12-14H2,1H3,(H,21,23)/t17-/m0/s1

InChI Key

XFDZNMWOGULFMW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03832159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-3.39

Polar Surface Area

47.772

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K786-4735 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K786-4735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4735?
Check Price and Availability of K786-4735, 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 K786-4735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4735
  • 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 K786-4735 available by request