6228-2590 Screening compound: 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

6228-2590 Screening compound: 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
6228-2590 Screening compound: 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2590
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

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

6228-2590

Molecular Formula

C17H13BrN4O4S2 (C17 H13 BrN4 O4 S2)

Compound Name

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

IUPAC name

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(6-methanesulfonyl-13-benzothiazol-2-yl)furan-2-carboxamide

SMILES

CS(c(cc1)cc2c1nc(NC(c1ccc(Cn3ncc(Br)c3)o1)=O)s2)(=O)=O

InChI

InChI=1S/C17H13BrN4O4S2/c1-28(24,25)12-3-4-13-15(6-12)27-17(20-13)21-16(23)14-5-2-11(26-14)9-22-8-10(18)7-19-22/h2-8H,9H2,1H3,(H,20,21,23)

InChI Key

VQVAAPMMJIWOGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03072909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.46

Polar Surface Area

85.187

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6228-2590 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Ion Channels
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-2590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2590?
Check Price and Availability of 6228-2590, 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 6228-2590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2590
  • 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 6228-2590 available by request