4379-0575 Screening compound: 2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-4,6-dimethylpyrimidine

4379-0575 Screening compound: 2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-4,6-dimethylpyrimidine
4379-0575 Screening compound: 2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-4,6-dimethylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4379-0575
2-({2-[(4-chlorophenyl)methanesulfonyl]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

4379-0575

Molecular Formula

C15H17ClN2O2S2 (C15 H17 ClN2 O2 S2)

Compound Name

2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-4,6-dimethylpyrimidine

IUPAC name

2-({2-[(4-chlorophenyl)methanesulfonyl]ethyl}sulfanyl)-46-dimethylpyrimidine

SMILES

Cc1nc(SCCS(Cc(cc2)ccc2Cl)(=O)=O)nc(C)c1

InChI

InChI=1S/C15H17ClN2O2S2/c1-11-9-12(2)18-15(17-11)21-7-8-22(19,20)10-13-3-5-14(16)6-4-13/h3-6,9H,7-8,10H2,1-2H3

InChI Key

YPRHMKSKFPPYCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02973323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.9

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

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-3.12

Polar Surface Area

45.173

Acid Dissociation Constant (pKa)

18.53

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4379-0575 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4379-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4379-0575?
Check Price and Availability of 4379-0575, 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 4379-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4379-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4379-0575
  • 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 4379-0575 available by request