E715-0579 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide

E715-0579 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
E715-0579 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0579
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(3-chloro-2-methylphenyl)piperidine-4-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

E715-0579

Molecular Formula

C23H27ClN6O (C23 H27 ClN6 O)

Compound Name

1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide

IUPAC name

1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide

SMILES

Cc(c(NC(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)=O)ccc1)c1Cl

InChI

InChI=1S/C23H27ClN6O/c1-15-17(24)6-5-7-18(15)27-23(31)16-9-12-29(13-10-16)21-20-22(26-14-25-21)30-11-4-2-3-8-19(30)28-20/h5-7,14,16H,2-4,8-13H2,1H3,(H,27,31)

InChI Key

FJKFGNKELPHFPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.96

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

4.356

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.28

Polar Surface Area

58.989

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E715-0579 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E715-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0579?
Check Price and Availability of E715-0579, 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 E715-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0579
  • 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 E715-0579 available by request