D585-0513 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol

D585-0513 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol
D585-0513 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0513
2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol

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

D585-0513

Molecular Formula

C14H12N4OS (C14 H12 N4 OS)

Compound Name

2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol

IUPAC name

2-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purin-6-ol

SMILES

C=Cc1ccc(CSc2nc(O)c3nc[nH]c3n2)cc1

InChI

InChI=1S/C14H12N4OS/c1-2-9-3-5-10(6-4-9)7-20-14-17-12-11(13(19)18-14)15-8-16-12/h2-6,8H,1,7H2,(H2,15,16,17,18,19)

InChI Key

NSKGQQYSKUPHMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

1.500

Water Solubility, LogSw

-2.00

Polar Surface Area

56.847

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D585-0513 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D585-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0513?
Check Price and Availability of D585-0513, 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 D585-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0513
  • 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 D585-0513 available by request