C759-0205 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

C759-0205 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
C759-0205 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C759-0205
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-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

C759-0205

Molecular Formula

C23H34N4O3 (C23 H34 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC1Oc(cccc2)c2NC1=O)NCCCN(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C23H34N4O3/c28-22(17-21-23(29)25-19-9-4-5-10-20(19)30-21)24-11-6-12-26-13-15-27(16-14-26)18-7-2-1-3-8-18/h4-5,9-10,18,21H,1-3,6-8,11-17H2,(H,24,28)(H,25,29)/t21-/m0/s1

InChI Key

KQWCMWVHCFJFCN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14791773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

0.939

Water Solubility, LogSw

-2.21

Polar Surface Area

64.159

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

C759-0205 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Human Proteases Annotated Library (2868 compounds)

KRAS-Targeted Library (16000 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
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C759-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C759-0205?
Check Price and Availability of C759-0205, 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 C759-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C759-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C759-0205
  • 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 C759-0205 available by request