K786-4749 Screening compound: 2-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)ethyl]acetamide

K786-4749 Screening compound: 2-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
K786-4749 Screening compound: 2-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4749
2-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)ethyl]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

K786-4749

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC1Oc(cccc2)c2N(CC(NCCc2ccc(C)cc2)=O)C1=O

InChI

InChI=1S/C21H24N2O3/c1-3-18-21(25)23(17-6-4-5-7-19(17)26-18)14-20(24)22-13-12-16-10-8-15(2)9-11-16/h4-11,18H,3,12-14H2,1-2H3,(H,22,24)/t18-/m0/s1

InChI Key

RGFABKVEXRMWFT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03832172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

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

3.009

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-3.42

Polar Surface Area

47.579

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K786-4749 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-4749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4749?
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What is the minimum amount of K786-4749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4749
  • 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 K786-4749 available by request