E715-0383 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(6-methylpyridin-2-yl)piperidine-4-carboxamide

Chemical Structure Depiction of ChemDiv screening compound E715-0383
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(6-methylpyridin-2-yl)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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E715-0383

Molecular Formula

C₂₂H₂₇N₇O (C22 H27 N7 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(C(CC2)CCN2c2ncnc3c2nc2n3CCCCC2)=O)n1

InChI

InChI=1S/C22H27N7O/c1-15-6-5-7-17(25-15)26-22(30)16-9-12-28(13-10-16)20-19-21(24-14-23-20)29-11-4-2-3-8-18(29)27-19/h5-7,14,16H,2-4,8-13H2,1H3,(H,25,26,30)

InChI Key

OYJKSXOJJHCOSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.03

Polar Surface Area

68.676

Acid Dissociation Constant (pK_a)

10.35

Base Dissociation Constant (pK_b)

5.53

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

50.00

E715-0383 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleoside Mimetics Library (2197 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)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:

3D
Pool
Mimetics
Cyclic compounds
Mimetics

Therapeutical areas:

Antiviral
Infections
Immune system
Hemic and lymphatic
Cardiovascular
Antiviral
Infections
Cancer
Immune system
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 E715-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0383?
Check Price and Availability of E715-0383, 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 E715-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E715-0383
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for E715-0383

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 E715-0383 available by request