6228-2300 Screening compound: 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

6228-2300 Screening compound: 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide
6228-2300 Screening compound: 2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2300
2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-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

6228-2300

Molecular Formula

C22H23BrN4O2S (C22 H23 BrN4 O2 S)

Compound Name

2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

IUPAC name

2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4H5H6H7H8H9H-cycloocta[b]thiophene-3-carboxamide

SMILES

NC(c1c(NC(c2cccc(Cn3ncc(Br)c3)c2)=O)sc2c1CCCCCC2)=O

InChI

InChI=1S/C22H23BrN4O2S/c23-16-11-25-27(13-16)12-14-6-5-7-15(10-14)21(29)26-22-19(20(24)28)17-8-3-1-2-4-9-18(17)30-22/h5-7,10-11,13H,1-4,8-9,12H2,(H2,24,28)(H,26,29)

InChI Key

CKKPHWUGUUEMIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03757350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

1.342

Water Solubility, LogSw

-3.86

Polar Surface Area

71.940

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6228-2300 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-2300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2300?
Check Price and Availability of 6228-2300, 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 6228-2300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2300
  • 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 6228-2300 available by request