3453-2064 Screening compound: 3-bromo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide

3453-2064 Screening compound: 3-bromo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide
3453-2064 Screening compound: 3-bromo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-2064
3-bromo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}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

3453-2064

Molecular Formula

C17H13BrN4O3S (C17 H13 BrN4 O3 S)

Compound Name

3-bromo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide

IUPAC name

3-bromo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide

SMILES

O=C(c1cccc(Br)c1)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O

InChI

InChI=1S/C17H13BrN4O3S/c18-13-4-1-3-12(11-13)16(23)21-14-5-7-15(8-6-14)26(24,25)22-17-19-9-2-10-20-17/h1-11H,(H,21,23)(H,19,20,22)

InChI Key

ONMZNGKFQUUNIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

1.819

Water Solubility, LogSw

-3.31

Polar Surface Area

84.549

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3453-2064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3453-2064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-2064?
Check Price and Availability of 3453-2064, 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 3453-2064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-2064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-2064
  • 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 3453-2064 available by request