6228-1091 Screening compound: methyl 2-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}benzoate

6228-1091 Screening compound: methyl 2-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}benzoate
6228-1091 Screening compound: methyl 2-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1091
methyl 2-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}benzoate

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

6228-1091

Molecular Formula

C17H14ClN3O4 (C17 H14 ClN3 O4)

Compound Name

methyl 2-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}benzoate

IUPAC name

methyl 2-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-amido}benzoate

SMILES

COC(c(cccc1)c1NC(c1ccc(Cn2ncc(Cl)c2)o1)=O)=O

InChI

InChI=1S/C17H14ClN3O4/c1-24-17(23)13-4-2-3-5-14(13)20-16(22)15-7-6-12(25-15)10-21-9-11(18)8-19-21/h2-9H,10H2,1H3,(H,20,22)

InChI Key

FECNTIVLPGTOJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.68

Polar Surface Area

66.153

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6228-1091 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 6228-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1091?
Check Price and Availability of 6228-1091, 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 6228-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1091
  • 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 6228-1091 available by request