E715-0618 Screening compound: 2-[4-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-carbonyl)piperazin-1-yl]pyrimidine

E715-0618 Screening compound: 2-[4-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-carbonyl)piperazin-1-yl]pyrimidine
E715-0618 Screening compound: 2-[4-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-carbonyl)piperazin-1-yl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0618
2-[4-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-carbonyl)piperazin-1-yl]pyrimidine

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

E715-0618

Molecular Formula

C24H31N9O (C24 H31 N9 O)

Compound Name

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

IUPAC name

2-[4-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-4-carbonyl)piperazin-1-yl]pyrimidine

SMILES

O=C(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C24H31N9O/c34-23(31-13-15-32(16-14-31)24-25-8-4-9-26-24)18-6-11-30(12-7-18)21-20-22(28-17-27-21)33-10-3-1-2-5-19(33)29-20/h4,8-9,17-18H,1-3,5-7,10-16H2

InChI Key

ZWRCKBPCGSHZEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-2.46

Polar Surface Area

74.866

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

E715-0618 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E715-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0618?
Check Price and Availability of E715-0618, 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 E715-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0618
  • 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 E715-0618 available by request