2082-0266 Screening compound: 5-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid

2082-0266 Screening compound: 5-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid
2082-0266 Screening compound: 5-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0266
5-[(4Z)-4-[(3-bromophenyl)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

2082-0266

Molecular Formula

C18H12BrClN2O3 (C18 H12 BrClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C/c2cccc(Br)c2)=NN1c(cc1)cc(C(O)=O)c1Cl

InChI

InChI=1S/C18H12BrClN2O3/c1-10-14(8-11-3-2-4-12(19)7-11)17(23)22(21-10)13-5-6-16(20)15(9-13)18(24)25/h2-9H,1H3,(H,24,25)

InChI Key

FIIRZYXKAVKMJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

0.750

Water Solubility, LogSw

-4.44

Polar Surface Area

53.995

Acid Dissociation Constant (pKa)

3.60

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 2082-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0266?
Check Price and Availability of 2082-0266, 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 2082-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0266
  • 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 2082-0266 available by request