2083-0012 Screening compound: (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

2083-0012 Screening compound: (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
2083-0012 Screening compound: (4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0012
(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

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

2083-0012

Molecular Formula

C18H13Cl2N3O4 (C18 H13 Cl2 N3 O4)

Compound Name

(4E)-1-(3,4-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-(34-dichlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\c(cc2)cc([N+]([O-])=O)c2OC)=NN1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C18H13Cl2N3O4/c1-10-13(7-11-3-6-17(27-2)16(8-11)23(25)26)18(24)22(21-10)12-4-5-14(19)15(20)9-12/h3-9H,1-2H3

InChI Key

FZFHDGUOCISJBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00852905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.76

Polar Surface Area

66.298

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2083-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0012?
Check Price and Availability of 2083-0012, 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 2083-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0012
  • 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 2083-0012 available by request