4100-1366 Screening compound: 2-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-(methylsulfanyl)benzamide

4100-1366 Screening compound: 2-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-(methylsulfanyl)benzamide
4100-1366 Screening compound: 2-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-1366
2-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-(methylsulfanyl)benzamide

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

4100-1366

Molecular Formula

C20H20N4O4S2 (C20 H20 N4 O4 S2)

Compound Name

2-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-(methylsulfanyl)benzamide

IUPAC name

2-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-(methylsulfanyl)benzamide

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(c(ccc(SC)c2)c2OC)=O)(=O)=O)n1

InChI

InChI=1S/C20H20N4O4S2/c1-13-10-11-21-20(22-13)24-30(26,27)16-7-4-14(5-8-16)23-19(25)17-9-6-15(29-3)12-18(17)28-2/h4-12H,1-3H3,(H,23,25)(H,21,22,24)

InChI Key

RRQWBTKEQFHVRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02861330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-3.66

Polar Surface Area

91.554

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4100-1366 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

BRD4 Targeted Library (4534 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 4100-1366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-1366?
Check Price and Availability of 4100-1366, 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 4100-1366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-1366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-1366
  • 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 4100-1366 available by request