K786-5734 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide

K786-5734 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamide
K786-5734 Screening compound: N-[3-(4-benzylpiperazin-1-yl)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 K786-5734
N-[3-(4-benzylpiperazin-1-yl)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

K786-5734

Molecular Formula

C27H36N4O3 (C27 H36 N4 O3)

Compound Name

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

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-ethyl-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamide

SMILES

CCC1Oc(ccc(C)c2)c2N(CC(NCCCN2CCN(Cc3ccccc3)CC2)=O)C1=O

InChI

InChI=1S/C27H36N4O3/c1-3-24-27(33)31(23-18-21(2)10-11-25(23)34-24)20-26(32)28-12-7-13-29-14-16-30(17-15-29)19-22-8-5-4-6-9-22/h4-6,8-11,18,24H,3,7,12-17,19-20H2,1-2H3,(H,28,32)/t24-/m0/s1

InChI Key

KLFNWEBUARNPLE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15101292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

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

2.750

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-3.16

Polar Surface Area

55.102

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

K786-5734 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 K786-5734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5734?
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What is the minimum amount of K786-5734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5734
  • 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 K786-5734 available by request