1323-0126 Screening compound: 8-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-9H-purin-6-amine

1323-0126 Screening compound: 8-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-9H-purin-6-amine
1323-0126 Screening compound: 8-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-9H-purin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1323-0126
8-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-9H-purin-6-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

1323-0126

Molecular Formula

C14H15N5O2S (C14 H15 N5 O2 S)

Compound Name

8-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-9H-purin-6-amine

IUPAC name

8-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-9H-purin-6-amine

SMILES

COc(cccc1)c1OCCSc([nH]1)nc2c1ncnc2N

InChI

InChI=1S/C14H15N5O2S/c1-20-9-4-2-3-5-10(9)21-6-7-22-14-18-11-12(15)16-8-17-13(11)19-14/h2-5,8H,6-7H2,1H3,(H3,15,16,17,18,19)

InChI Key

DBQXNXUVBDQTNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00640546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.431

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-2.19

Polar Surface Area

75.718

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

1323-0126 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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

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

References: we are preparing a list of scientific research reports with 1323-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1323-0126?
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What is the minimum amount of 1323-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1323-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1323-0126
  • 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 1323-0126 available by request