6040-0680 Screening compound: 2-(benzylsulfanyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide

6040-0680 Screening compound: 2-(benzylsulfanyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
6040-0680 Screening compound: 2-(benzylsulfanyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-0680
2-(benzylsulfanyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}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

6040-0680

Molecular Formula

C19H18N4O3S2 (C19 H18 N4 O3 S2)

Compound Name

2-(benzylsulfanyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide

IUPAC name

2-(benzylsulfanyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide

SMILES

O=C(CSCc1ccccc1)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O

InChI

InChI=1S/C19H18N4O3S2/c24-18(14-27-13-15-5-2-1-3-6-15)22-16-7-9-17(10-8-16)28(25,26)23-19-20-11-4-12-21-19/h1-12H,13-14H2,(H,22,24)(H,20,21,23)

InChI Key

GIACMAUJWJTJCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03637692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

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

2.325

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-2.95

Polar Surface Area

84.335

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

6040-0680 in Drug Discovery

Included in Screening Libraries

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 6040-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-0680?
Check Price and Availability of 6040-0680, 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 6040-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-0680
  • 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 6040-0680 available by request