2082-0341 Screening compound: 4-[(E)-[(2,4-dichloro-5-nitrophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

2082-0341 Screening compound: 4-[(E)-[(2,4-dichloro-5-nitrophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
2082-0341 Screening compound: 4-[(E)-[(2,4-dichloro-5-nitrophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0341
4-[(E)-[(2,4-dichloro-5-nitrophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-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

2082-0341

Molecular Formula

C18H14Cl2N4O3 (C18 H14 Cl2 N4 O3)

Compound Name

4-[(E)-[(2,4-dichloro-5-nitrophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-[(E)-[(24-dichloro-5-nitrophenyl)methylidene]amino]-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=C/c(c(Cl)c1)cc([N+]([O-])=O)c1Cl

InChI

InChI=1S/C18H14Cl2N4O3/c1-11-17(18(25)23(22(11)2)13-6-4-3-5-7-13)21-10-12-8-16(24(26)27)15(20)9-14(12)19/h3-10H,1-2H3

InChI Key

YNVVFSWJWIEJNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-3.97

Polar Surface Area

61.828

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2082-0341 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2082-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0341?
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What is the minimum amount of 2082-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0341
  • 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 2082-0341 available by request