1990-3831 Screening compound: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methoxyphenoxy)acetohydrazide

1990-3831 Screening compound: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methoxyphenoxy)acetohydrazide
1990-3831 Screening compound: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methoxyphenoxy)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1990-3831
N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methoxyphenoxy)acetohydrazide

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

1990-3831

Molecular Formula

C20H19ClN4O3 (C20 H19 ClN4 O3)

Compound Name

N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methoxyphenoxy)acetohydrazide

IUPAC name

N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methoxyphenoxy)acetohydrazide

SMILES

Cc(c(/C=N/NC(COc(cc1)ccc1OC)=O)c1Cl)nn1-c1ccccc1

InChI

InChI=1S/C20H19ClN4O3/c1-14-18(20(21)25(24-14)15-6-4-3-5-7-15)12-22-23-19(26)13-28-17-10-8-16(27-2)9-11-17/h3-12H,13H2,1-2H3,(H,23,26)

InChI Key

UEEQPTWXHMRZNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00637008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.576

Water Solubility, LogSw

-3.86

Polar Surface Area

65.183

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1990-3831 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1990-3831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1990-3831?
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What is the minimum amount of 1990-3831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1990-3831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1990-3831
  • 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 1990-3831 available by request