E715-0259 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-4-(4-fluorophenyl)piperazine

E715-0259 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-4-(4-fluorophenyl)piperazine
E715-0259 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-4-(4-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0259
1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-4-(4-fluorophenyl)piperazine

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

E715-0259

Molecular Formula

C26H32FN7O (C26 H32 FN7 O)

Compound Name

1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)-4-(4-fluorophenyl)piperazine

IUPAC name

1-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-3-carbonyl)-4-(4-fluorophenyl)piperazine

SMILES

O=C(C(CCC1)CN1c1ncnc2c1nc1n2CCCCC1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C26H32FN7O/c27-20-7-9-21(10-8-20)31-13-15-32(16-14-31)26(35)19-5-4-11-33(17-19)24-23-25(29-18-28-24)34-12-3-1-2-6-22(34)30-23/h7-10,18-19H,1-6,11-17H2/t19-/m0/s1

InChI Key

XDHMNYZEVIXYJT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14911532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.39

Polar Surface Area

56.438

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

E715-0259 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • 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 E715-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0259?
Check Price and Availability of E715-0259, 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 E715-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0259
  • 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 E715-0259 available by request