6228-1514 Screening compound: 4-bromo-1-{5-[(2-chlorophenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole

6228-1514 Screening compound: 4-bromo-1-{5-[(2-chlorophenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole
6228-1514 Screening compound: 4-bromo-1-{5-[(2-chlorophenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1514
4-bromo-1-{5-[(2-chlorophenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole

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

6228-1514

Molecular Formula

C17H14BrClN2O3 (C17 H14 BrClN2 O3)

Compound Name

4-bromo-1-{5-[(2-chlorophenoxy)methyl]furan-2-carbonyl}-3,5-dimethyl-1H-pyrazole

IUPAC name

4-bromo-1-{5-[(2-chlorophenoxy)methyl]furan-2-carbonyl}-35-dimethyl-1H-pyrazole

SMILES

Cc(n(C(c1ccc(COc(cccc2)c2Cl)o1)=O)nc1C)c1Br

InChI

InChI=1S/C17H14BrClN2O3/c1-10-16(18)11(2)21(20-10)17(22)15-8-7-12(24-15)9-23-14-6-4-3-5-13(14)19/h3-8H,9H2,1-2H3

InChI Key

MASQUEATIMOKCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02055492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-3.87

Polar Surface Area

43.008

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 6228-1514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1514?
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What is the minimum amount of 6228-1514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1514
  • 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 6228-1514 available by request