6228-1376 Screening compound: 5-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]-N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}FURAN-2-CARBOXAMIDE

6228-1376 Screening compound: 5-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]-N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}FURAN-2-CARBOXAMIDE
6228-1376 Screening compound: 5-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]-N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}FURAN-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1376
5-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]-N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-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

6228-1376

Molecular Formula

C19H17BrN4O2S (C19 H17 BrN4 O2 S)

Compound Name

5-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]-N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}FURAN-2-CARBOXAMIDE

IUPAC name

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}furan-2-carboxamide

SMILES

N#Cc1c(NC(c2ccc(Cn3ncc(Br)c3)o2)=O)sc2c1CCCCC2

InChI

InChI=1S/C19H17BrN4O2S/c20-12-9-22-24(10-12)11-13-6-7-16(26-13)18(25)23-19-15(8-21)14-4-2-1-3-5-17(14)27-19/h6-7,9-10H,1-5,11H2,(H,23,25)

InChI Key

LCERXWIRJHYLSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-4.28

Polar Surface Area

62.779

Acid Dissociation Constant (pKa)

5.43

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

6228-1376 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-1376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1376?
Check Price and Availability of 6228-1376, 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 6228-1376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1376
  • 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 6228-1376 available by request