2082-0226 Screening compound: 5-[(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid

2082-0226 Screening compound: 5-[(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid
2082-0226 Screening compound: 5-[(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0226
5-[(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid

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

2082-0226

Molecular Formula

C19H14BrClN2O4 (C19 H14 BrClN2 O4)

Compound Name

5-[(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid

IUPAC name

5-[(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid

SMILES

CC(/C(/C1=O)=C/c(cc(cc2)Br)c2OC)=NN1c(cc1)cc(C(O)=O)c1Cl

InChI

InChI=1S/C19H14BrClN2O4/c1-10-14(8-11-7-12(20)3-6-17(11)27-2)18(24)23(22-10)13-4-5-16(21)15(9-13)19(25)26/h3-9H,1-2H3,(H,25,26)

InChI Key

FYISOKAIHAJGAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

0.762

Water Solubility, LogSw

-4.44

Polar Surface Area

61.625

Acid Dissociation Constant (pKa)

3.60

Base Dissociation Constant (pKb)

-9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 2082-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0226?
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What is the minimum amount of 2082-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0226
  • 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 2082-0226 available by request