D071-0031 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-9H-purin-6-ol

D071-0031 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-9H-purin-6-ol
D071-0031 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-9H-purin-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D071-0031
2-{[(4-fluorophenyl)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

D071-0031

Molecular Formula

C12H9FN4OS (C12 H9 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

Oc1c2nc[nH]c2nc(SCc(cc2)ccc2F)n1

InChI

InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-19-12-16-10-9(11(18)17-12)14-6-15-10/h1-4,6H,5H2,(H2,14,15,16,17,18)

InChI Key

RUAIUVGHNUUWCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06624090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.474

Distribution Coefficient, logD

0.935

Water Solubility, LogSw

-1.54

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

8.30

D071-0031 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D071-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D071-0031?
Check Price and Availability of D071-0031, 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 D071-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D071-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D071-0031
  • 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 D071-0031 available by request