E715-0092 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide

E715-0092 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
E715-0092 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0092
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[3-(methylsulfanyl)phenyl]piperidine-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

E715-0092

Molecular Formula

C23H28N6OS (C23 H28 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1cc(NC(C(CCC2)CN2c2ncnc3c2nc2n3CCCCC2)=O)ccc1

InChI

InChI=1S/C23H28N6OS/c1-31-18-9-5-8-17(13-18)26-23(30)16-7-6-11-28(14-16)21-20-22(25-15-24-21)29-12-4-2-3-10-19(29)27-20/h5,8-9,13,15-16H,2-4,6-7,10-12,14H2,1H3,(H,26,30)/t16-/m0/s1

InChI Key

ZAOMJWHIYQJMRC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14911418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.78

Polar Surface Area

59.620

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

E715-0092 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E715-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0092?
Check Price and Availability of E715-0092, 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 E715-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0092
  • 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 E715-0092 available by request