K786-5054 Screening compound: 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

K786-5054 Screening compound: 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
K786-5054 Screening compound: 3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5054
3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

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

K786-5054

Molecular Formula

C21H32N4O3 (C21 H32 N4 O3)

Compound Name

3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

IUPAC name

3-(3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

SMILES

CCCN1CCN(CCCNC(CCN2c(cccc3)c3OCC2=O)=O)CC1

InChI

InChI=1S/C21H32N4O3/c1-2-10-23-13-15-24(16-14-23)11-5-9-22-20(26)8-12-25-18-6-3-4-7-19(18)28-17-21(25)27/h3-4,6-7H,2,5,8-17H2,1H3,(H,22,26)

InChI Key

JRGAUVZZXYHTFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.501

Distribution Coefficient, logD

-0.464

Water Solubility, LogSw

-1.95

Polar Surface Area

56.133

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

K786-5054 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with K786-5054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5054?
Check Price and Availability of K786-5054, 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 K786-5054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5054
  • 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 K786-5054 available by request