3908-2206 Screening compound: 5-[(4-butoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4,6-diol

3908-2206 Screening compound: 5-[(4-butoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4,6-diol
3908-2206 Screening compound: 5-[(4-butoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4,6-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3908-2206
5-[(4-butoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4,6-diol

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

3908-2206

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

5-[(4-butoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4,6-diol

IUPAC name

5-[(4-butoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-46-diol

SMILES

CCCCOc1ccc(Cc(c(O)nc(SC)n2)c2O)cc1

InChI

InChI=1S/C16H20N2O3S/c1-3-4-9-21-12-7-5-11(6-8-12)10-13-14(19)17-16(22-2)18-15(13)20/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,19,20)

InChI Key

SZFJPMPBIXCNCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.71

Polar Surface Area

58.599

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3908-2206 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3908-2206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3908-2206?
Check Price and Availability of 3908-2206, 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 3908-2206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3908-2206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3908-2206
  • 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 3908-2206 available by request