E715-0514 Screening compound: methyl 3-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)thiophene-2-carboxylate

E715-0514 Screening compound: methyl 3-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)thiophene-2-carboxylate
E715-0514 Screening compound: methyl 3-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0514
methyl 3-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)thiophene-2-carboxylate

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

E715-0514

Molecular Formula

C22H26N6O3S (C22 H26 N6 O3 S)

Compound Name

methyl 3-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)thiophene-2-carboxylate

IUPAC name

methyl 3-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-4-amido)thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)=O)=O

InChI

InChI=1S/C22H26N6O3S/c1-31-22(30)18-15(8-12-32-18)25-21(29)14-6-10-27(11-7-14)19-17-20(24-13-23-19)28-9-4-2-3-5-16(28)26-17/h8,12-14H,2-7,9-11H2,1H3,(H,25,29)

InChI Key

CBAIQLJQHNZGIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-3.24

Polar Surface Area

81.181

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E715-0514 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 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)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with E715-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0514?
Check Price and Availability of E715-0514, 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 E715-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0514
  • 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 E715-0514 available by request