5321-4782 Screening compound: 2-[(2-{[4-(tert-butyl)phenyl]sulfonyl}ethyl)sulfanyl]-4,6-dimethylpyrimidine

5321-4782 Screening compound: 2-[(2-{[4-(tert-butyl)phenyl]sulfonyl}ethyl)sulfanyl]-4,6-dimethylpyrimidine
5321-4782 Screening compound: 2-[(2-{[4-(tert-butyl)phenyl]sulfonyl}ethyl)sulfanyl]-4,6-dimethylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5321-4782
2-[(2-{[4-(tert-butyl)phenyl]sulfonyl}ethyl)sulfanyl]-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

5321-4782

Molecular Formula

C18H24N2O2S2 (C18 H24 N2 O2 S2)

Compound Name

2-[(2-{[4-(tert-butyl)phenyl]sulfonyl}ethyl)sulfanyl]-4,6-dimethylpyrimidine

IUPAC name

n/a

SMILES

CC(C)(C)c(cc1)ccc1S(CCSc1nc(C)cc(C)n1)(=O)=O

InChI

InChI=1S/C18H24N2O2S2/c1-13-12-14(2)20-17(19-13)23-10-11-24(21,22)16-8-6-15(7-9-16)18(3,4)5/h6-9,12H,10-11H2,1-5H3

InChI Key

OCPXZBUVIYWXFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02973326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.03

Polar Surface Area

45.909

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 5321-4782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5321-4782?
Check Price and Availability of 5321-4782, 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 5321-4782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5321-4782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5321-4782
  • 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 5321-4782 available by request