D058-0218 Screening compound: 2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

D058-0218 Screening compound: 2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
D058-0218 Screening compound: 2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0218
2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

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

D058-0218

Molecular Formula

C26H29N7O2S (C26 H29 N7 O2 S)

Compound Name

2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

IUPAC name

2-({6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

SMILES

Cc(cccc1)c1OCCn1c(SCC(N(CC2)CCN2c2ccccc2)=O)nc2c1ncnc2N

InChI

InChI=1S/C26H29N7O2S/c1-19-7-5-6-10-21(19)35-16-15-33-25-23(24(27)28-18-29-25)30-26(33)36-17-22(34)32-13-11-31(12-14-32)20-8-3-2-4-9-20/h2-10,18H,11-17H2,1H3,(H2,27,28,29)

InChI Key

SBMPZARNGCLORA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-4.06

Polar Surface Area

79.749

Acid Dissociation Constant (pKa)

18.87

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D058-0218 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D058-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0218?
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What is the minimum amount of D058-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0218
  • 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 D058-0218 available by request