E715-1045 Screening compound: 1-(5-chloro-2-methylphenyl)-4-{6H,7H,8H,9H-pyrido[2,1-h]purin-4-yl}piperazine

E715-1045 Screening compound: 1-(5-chloro-2-methylphenyl)-4-{6H,7H,8H,9H-pyrido[2,1-h]purin-4-yl}piperazine
E715-1045 Screening compound: 1-(5-chloro-2-methylphenyl)-4-{6H,7H,8H,9H-pyrido[2,1-h]purin-4-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-1045
1-(5-chloro-2-methylphenyl)-4-{6H,7H,8H,9H-pyrido[2,1-h]purin-4-yl}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

E715-1045

Molecular Formula

C20H23ClN6 (C20 H23 ClN6)

Compound Name

1-(5-chloro-2-methylphenyl)-4-{6H,7H,8H,9H-pyrido[2,1-h]purin-4-yl}piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-{6H7H8H9H-pyrido[21-h]purin-4-yl}piperazine

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1c1ncnc2c1nc1n2CCCC1

InChI

InChI=1S/C20H23ClN6/c1-14-5-6-15(21)12-16(14)25-8-10-26(11-9-25)19-18-20(23-13-22-19)27-7-3-2-4-17(27)24-18/h5-6,12-13H,2-4,7-11H2,1H3

InChI Key

PLVHQCKPXVXLOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.42

Polar Surface Area

39.224

Acid Dissociation Constant (pKa)

18.55

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E715-1045 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E715-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-1045?
Check Price and Availability of E715-1045, 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 E715-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-1045
  • 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 E715-1045 available by request