K786-4754 Screening compound: N-(butan-2-yl)-2-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

K786-4754 Screening compound: N-(butan-2-yl)-2-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide
K786-4754 Screening compound: N-(butan-2-yl)-2-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4754
N-(butan-2-yl)-2-(2-ethyl-3-oxo-3,4-dihydro-2H-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

K786-4754

Molecular Formula

C16H22N2O3 (C16 H22 N2 O3)

Compound Name

N-(butan-2-yl)-2-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

IUPAC name

N-(butan-2-yl)-2-(2-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamide

SMILES

CCC(C)NC(CN1c(cccc2)c2OC(CC)C1=O)=O

InChI

InChI=1S/C16H22N2O3/c1-4-11(3)17-15(19)10-18-12-8-6-7-9-14(12)21-13(5-2)16(18)20/h6-9,11,13H,4-5,10H2,1-3H3,(H,17,19)

InChI Key

RYXDTPILUZHDFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-2.71

Polar Surface Area

47.451

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

K786-4754 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K786-4754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4754?
Check Price and Availability of K786-4754, 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 K786-4754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4754
  • 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 K786-4754 available by request