K786-3351 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

K786-3351 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide
K786-3351 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3351
N-{2-[butyl(methyl)amino]ethyl}-2-(6-tert-butyl-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

K786-3351

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)CCNC(CN1c(cc(C(C)(C)C)cc2)c2OCC1=O)=O

InChI

InChI=1S/C21H33N3O3/c1-6-7-11-23(5)12-10-22-19(25)14-24-17-13-16(21(2,3)4)8-9-18(17)27-15-20(24)26/h8-9,13H,6-7,10-12,14-15H2,1-5H3,(H,22,25)

InChI Key

DJRLQRUTZZBQJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

1.234

Water Solubility, LogSw

-3.18

Polar Surface Area

52.725

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

K786-3351 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K786-3351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3351?
Check Price and Availability of K786-3351, 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 K786-3351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3351
  • 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 K786-3351 available by request