6228-1089 Screening compound: methyl 5-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}-4-cyano-3-methylthiophene-2-carboxylate

6228-1089 Screening compound: methyl 5-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}-4-cyano-3-methylthiophene-2-carboxylate
6228-1089 Screening compound: methyl 5-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}-4-cyano-3-methylthiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1089
methyl 5-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}-4-cyano-3-methylthiophene-2-carboxylate

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

6228-1089

Molecular Formula

C17H13ClN4O4S (C17 H13 ClN4 O4 S)

Compound Name

methyl 5-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}-4-cyano-3-methylthiophene-2-carboxylate

IUPAC name

methyl 5-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}-4-cyano-3-methylthiophene-2-carboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(c2ccc(Cn3ncc(Cl)c3)o2)=O)c1C#N

InChI

InChI=1S/C17H13ClN4O4S/c1-9-12(5-19)16(27-14(9)17(24)25-2)21-15(23)13-4-3-11(26-13)8-22-7-10(18)6-20-22/h3-4,6-7H,8H2,1-2H3,(H,21,23)

InChI Key

OEELJJUYHQCWHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01919410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

0.983

Water Solubility, LogSw

-3.79

Polar Surface Area

83.701

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

6228-1089 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-1089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1089?
Check Price and Availability of 6228-1089, 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 6228-1089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1089
  • 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 6228-1089 available by request