K786-2612 Screening compound: 2-[6-(tert-butyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-cyclopropylacetamide

K786-2612 Screening compound: 2-[6-(tert-butyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-cyclopropylacetamide
K786-2612 Screening compound: 2-[6-(tert-butyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2612
2-[6-(tert-butyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-cyclopropylacetamide

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

K786-2612

Molecular Formula

C17H22N2O3 (C17 H22 N2 O3)

Compound Name

2-[6-(tert-butyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-cyclopropylacetamide

IUPAC name

2-(6-tert-butyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-cyclopropylacetamide

SMILES

CC(C)(C)c(cc1)cc(N2CC(NC3CC3)=O)c1OCC2=O

InChI

InChI=1S/C17H22N2O3/c1-17(2,3)11-4-7-14-13(8-11)19(16(21)10-22-14)9-15(20)18-12-5-6-12/h4,7-8,12H,5-6,9-10H2,1-3H3,(H,18,20)

InChI Key

BDSBIZSJUABIPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.233

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.90

Polar Surface Area

48.596

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

K786-2612 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K786-2612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2612?
Check Price and Availability of K786-2612, 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 K786-2612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2612
  • 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 K786-2612 available by request