0489-0016 Screening compound: 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide

0489-0016 Screening compound: 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
0489-0016 Screening compound: 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0489-0016
3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide

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

0489-0016

Molecular Formula

C21H19BrN2O3S (C21 H19 BrN2 O3 S)

Compound Name

3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide

IUPAC name

3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide

SMILES

Cc(ccc(C(Nc(cc1)ccc1Br)=O)c1)c1S(NCc1ccccc1)(=O)=O

InChI

InChI=1S/C21H19BrN2O3S/c1-15-7-8-17(21(25)24-19-11-9-18(22)10-12-19)13-20(15)28(26,27)23-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H,24,25)

InChI Key

ACLDCZYPYNTGAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00634969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.052

Distribution Coefficient, logD

5.028

Water Solubility, LogSw

-4.70

Polar Surface Area

65.088

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

0489-0016 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 0489-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0489-0016?
Check Price and Availability of 0489-0016, 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 0489-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0489-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0489-0016
  • 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 0489-0016 available by request