E715-0886 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6H,7H,8H,9H-pyrido[2,1-h]purin-4-amine

E715-0886 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6H,7H,8H,9H-pyrido[2,1-h]purin-4-amine
E715-0886 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6H,7H,8H,9H-pyrido[2,1-h]purin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0886
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6H,7H,8H,9H-pyrido[2,1-h]purin-4-amine

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

E715-0886

Molecular Formula

C18H21N5S (C18 H21 N5 S)

Compound Name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6H,7H,8H,9H-pyrido[2,1-h]purin-4-amine

IUPAC name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6H7H8H9H-pyrido[21-h]purin-4-amine

SMILES

CSc1ccc(CCNc2ncnc3c2nc2n3CCCC2)cc1

InChI

InChI=1S/C18H21N5S/c1-24-14-7-5-13(6-8-14)9-10-19-17-16-18(21-12-20-17)23-11-3-2-4-15(23)22-16/h5-8,12H,2-4,9-11H2,1H3,(H,19,20,21)

InChI Key

BXKPGLISPVMPBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.400

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.66

Polar Surface Area

43.595

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E715-0886 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E715-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0886?
Check Price and Availability of E715-0886, 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 E715-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0886
  • 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 E715-0886 available by request