E715-0517 Screening compound: methyl 2-[(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidin-4-yl)formamido]-4-(methylsulfanyl)butanoate

E715-0517 Screening compound: methyl 2-[(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidin-4-yl)formamido]-4-(methylsulfanyl)butanoate
E715-0517 Screening compound: methyl 2-[(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidin-4-yl)formamido]-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0517
methyl 2-[(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidin-4-yl)formamido]-4-(methylsulfanyl)butanoate

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

E715-0517

Molecular Formula

C22H32N6O3S (C22 H32 N6 O3 S)

Compound Name

methyl 2-[(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidin-4-yl)formamido]-4-(methylsulfanyl)butanoate

IUPAC name

methyl 2-[(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidin-4-yl)formamido]-4-(methylsulfanyl)butanoate

SMILES

COC(C(CCSC)NC(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)=O)=O

InChI

InChI=1S/C22H32N6O3S/c1-31-22(30)16(9-13-32-2)25-21(29)15-7-11-27(12-8-15)19-18-20(24-14-23-19)28-10-5-3-4-6-17(28)26-18/h14-16H,3-13H2,1-2H3,(H,25,29)/t16-/m0/s1

InChI Key

NUVLGRTUDJLYRV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14911704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.914

Water Solubility, LogSw

-2.32

Polar Surface Area

82.085

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

E715-0517 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E715-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0517?
Check Price and Availability of E715-0517, 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 E715-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0517
  • 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 E715-0517 available by request