K786-3358 Screening compound: ethyl 1-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate

K786-3358 Screening compound: ethyl 1-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate
K786-3358 Screening compound: ethyl 1-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3358
ethyl 1-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate

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

K786-3358

Molecular Formula

C22H30N2O5 (C22 H30 N2 O5)

Compound Name

ethyl 1-[2-(6-tert-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[2-(6-tert-butyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CN1c(cc(C(C)(C)C)cc2)c2OCC1=O)=O)=O

InChI

InChI=1S/C22H30N2O5/c1-5-28-21(27)15-8-10-23(11-9-15)19(25)13-24-17-12-16(22(2,3)4)6-7-18(17)29-14-20(24)26/h6-7,12,15H,5,8-11,13-14H2,1-4H3

InChI Key

DEMQYKFOTPAQNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-2.87

Polar Surface Area

61.214

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

K786-3358 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K786-3358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3358?
Check Price and Availability of K786-3358, 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 K786-3358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3358
  • 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 K786-3358 available by request