K786-0581 Screening compound: N-[3-(azepan-1-yl)propyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

K786-0581 Screening compound: N-[3-(azepan-1-yl)propyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
K786-0581 Screening compound: N-[3-(azepan-1-yl)propyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0581
N-[3-(azepan-1-yl)propyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

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

K786-0581

Molecular Formula

C21H32N4O2 (C21 H32 N4 O2)

Compound Name

N-[3-(azepan-1-yl)propyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-3-oxo-2-(propan-2-yl)-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

CC(C)C1Nc(ccc(C(NCCCN2CCCCCC2)=O)c2)c2NC1=O

InChI

InChI=1S/C21H32N4O2/c1-15(2)19-21(27)24-18-14-16(8-9-17(18)23-19)20(26)22-10-7-13-25-11-5-3-4-6-12-25/h8-9,14-15,19,23H,3-7,10-13H2,1-2H3,(H,22,26)(H,24,27)/t19-/m0/s1

InChI Key

JYAFXDDORAELPB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15099853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

-0.013

Water Solubility, LogSw

-3.03

Polar Surface Area

65.832

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

K786-0581 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K786-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0581?
Check Price and Availability of K786-0581, 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 K786-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0581
  • 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 K786-0581 available by request