4100-0834 Screening compound: N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenyl-2-(phenylsulfanyl)acetamide

4100-0834 Screening compound: N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenyl-2-(phenylsulfanyl)acetamide
4100-0834 Screening compound: N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenyl-2-(phenylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-0834
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenyl-2-(phenylsulfanyl)acetamide

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

4100-0834

Molecular Formula

C25H22N4O3S2 (C25 H22 N4 O3 S2)

Compound Name

N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenyl-2-(phenylsulfanyl)acetamide

IUPAC name

N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenyl-2-(phenylsulfanyl)acetamide

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(C(c2ccccc2)Sc2ccccc2)=O)(=O)=O)n1

InChI

InChI=1S/C25H22N4O3S2/c1-18-16-17-26-25(27-18)29-34(31,32)22-14-12-20(13-15-22)28-24(30)23(19-8-4-2-5-9-19)33-21-10-6-3-7-11-21/h2-17,23H,1H3,(H,28,30)(H,26,27,29)/t23-/m1/s1

InChI Key

PYXZWXAGILNURT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01835367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-4.28

Polar Surface Area

83.652

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

4100-0834 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4100-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-0834?
Check Price and Availability of 4100-0834, 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 4100-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-0834
  • 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 4100-0834 available by request