C066-4150 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-cyclohexylpiperidine-3-carboxamide

C066-4150 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-cyclohexylpiperidine-3-carboxamide
C066-4150 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-cyclohexylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4150
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-cyclohexylpiperidine-3-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

C066-4150

Molecular Formula

C22H32N6O (C22 H32 N6 O)

Compound Name

1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-cyclohexylpiperidine-3-carboxamide

IUPAC name

1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-cyclohexylpiperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1ncnc2c1nc1n2CCCCC1)NC1CCCCC1

InChI

InChI=1S/C22H32N6O/c29-22(25-17-9-3-1-4-10-17)16-8-7-12-27(14-16)20-19-21(24-15-23-20)28-13-6-2-5-11-18(28)26-19/h15-17H,1-14H2,(H,25,29)/t16-/m0/s1

InChI Key

SKLXPOMWOBAAPR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14715900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.229

Water Solubility, LogSw

-3.25

Polar Surface Area

60.668

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.70

C066-4150 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-4150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4150?
Check Price and Availability of C066-4150, 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 C066-4150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4150
  • 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 C066-4150 available by request