K784-9686 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

K784-9686 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide
K784-9686 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9686
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-ethyl-6-methyl-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

K784-9686

Molecular Formula

C25H33N3O3 (C25 H33 N3 O3)

Compound Name

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

IUPAC name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-ethyl-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamide

SMILES

CCC1Oc(ccc(C)c2)c2N(CC(NCCCN(CC)c2cc(C)ccc2)=O)C1=O

InChI

InChI=1S/C25H33N3O3/c1-5-22-25(30)28(21-16-19(4)11-12-23(21)31-22)17-24(29)26-13-8-14-27(6-2)20-10-7-9-18(3)15-20/h7,9-12,15-16,22H,5-6,8,13-14,17H2,1-4H3,(H,26,29)/t22-/m0/s1

InChI Key

LXLWXEDEMBCYAC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15099409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.21

Polar Surface Area

50.569

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K784-9686 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K784-9686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9686?
Check Price and Availability of K784-9686, 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 K784-9686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9686
  • 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 K784-9686 available by request