1586-0018 Screening compound: 2-(benzylsulfanyl)-4,6-dimethylpyrimidine

1586-0018 Screening compound: 2-(benzylsulfanyl)-4,6-dimethylpyrimidine
1586-0018 Screening compound: 2-(benzylsulfanyl)-4,6-dimethylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1586-0018
2-(benzylsulfanyl)-4,6-dimethylpyrimidine

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

1586-0018

Molecular Formula

C13H14N2S (C13 H14 N2 S)

Compound Name

2-(benzylsulfanyl)-4,6-dimethylpyrimidine

IUPAC name

2-(benzylsulfanyl)-46-dimethylpyrimidine

SMILES

Cc1nc(SCc2ccccc2)nc(C)c1

InChI

InChI=1S/C13H14N2S/c1-10-8-11(2)15-13(14-10)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3

InChI Key

KCFLWTLIRXUWNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00520499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-2.84

Polar Surface Area

16.873

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

1586-0018 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1586-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1586-0018?
Check Price and Availability of 1586-0018, 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 1586-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1586-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1586-0018
  • 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 1586-0018 available by request