C066-4209 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-3,5-dimethylpiperidine

C066-4209 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-3,5-dimethylpiperidine
C066-4209 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-3,5-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4209
1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-3,5-dimethylpiperidine

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

C066-4209

Molecular Formula

C23H34N6O (C23 H34 N6 O)

Compound Name

1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-3,5-dimethylpiperidine

IUPAC name

1-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-3-carbonyl)-35-dimethylpiperidine

SMILES

CC(CC(C)C1)CN1C(C(CCC1)CN1c1ncnc2c1nc1n2CCCCC1)=O

InChI

InChI=1S/C23H34N6O/c1-16-11-17(2)13-28(12-16)23(30)18-7-6-9-27(14-18)21-20-22(25-15-24-21)29-10-5-3-4-8-19(29)26-20/h15-18H,3-14H2,1-2H3

InChI Key

JYVYSRMMIGQXDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.55

Polar Surface Area

53.044

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

73.90

C066-4209 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C066-4209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4209?
Check Price and Availability of C066-4209, 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 C066-4209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4209
  • 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 C066-4209 available by request