3940-0019 Screening compound: 4-methyl-N-[2-methyl-1-(pyrimidin-2-ylsulfanyl)propan-2-yl]benzene-1-sulfonamide

3940-0019 Screening compound: 4-methyl-N-[2-methyl-1-(pyrimidin-2-ylsulfanyl)propan-2-yl]benzene-1-sulfonamide
3940-0019 Screening compound: 4-methyl-N-[2-methyl-1-(pyrimidin-2-ylsulfanyl)propan-2-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3940-0019
4-methyl-N-[2-methyl-1-(pyrimidin-2-ylsulfanyl)propan-2-yl]benzene-1-sulfonamide

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

3940-0019

Molecular Formula

C15H19N3O2S2 (C15 H19 N3 O2 S2)

Compound Name

4-methyl-N-[2-methyl-1-(pyrimidin-2-ylsulfanyl)propan-2-yl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[2-methyl-1-(pyrimidin-2-ylsulfanyl)propan-2-yl]benzene-1-sulfonamide

SMILES

CC(C)(CSc1ncccn1)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C15H19N3O2S2/c1-12-5-7-13(8-6-12)22(19,20)18-15(2,3)11-21-14-16-9-4-10-17-14/h4-10,18H,11H2,1-3H3

InChI Key

VWJVQVZIPNLJGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02579178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.16

Polar Surface Area

59.659

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3940-0019 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 3940-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3940-0019?
Check Price and Availability of 3940-0019, 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 3940-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3940-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3940-0019
  • 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 3940-0019 available by request