1951-2345 Screening compound: (4E)-4-[2-(2-methoxy-5-nitrophenyl)hydrazin-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

1951-2345 Screening compound: (4E)-4-[2-(2-methoxy-5-nitrophenyl)hydrazin-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
1951-2345 Screening compound: (4E)-4-[2-(2-methoxy-5-nitrophenyl)hydrazin-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1951-2345
(4E)-4-[2-(2-methoxy-5-nitrophenyl)hydrazin-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

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

1951-2345

Molecular Formula

C12H12N6O4S (C12 H12 N6 O4 S)

Compound Name

(4E)-4-[2-(2-methoxy-5-nitrophenyl)hydrazin-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

IUPAC name

(4E)-4-[2-(2-methoxy-5-nitrophenyl)hydrazin-1-ylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazole-1-carbothioamide

SMILES

CC(/C1=N\Nc(cc(cc2)[N+]([O-])=O)c2OC)=NN(C(N)=S)C1=O

InChI

InChI=1S/C12H12N6O4S/c1-6-10(11(19)17(16-6)12(13)23)15-14-8-5-7(18(20)21)3-4-9(8)22-2/h3-5,14H,1-2H3,(H2,13,23)

InChI Key

YAEOPAROXMLGIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.575

Distribution Coefficient, logD

1.440

Water Solubility, LogSw

-2.61

Polar Surface Area

102.657

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 1951-2345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1951-2345?
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What is the minimum amount of 1951-2345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1951-2345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1951-2345
  • 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 1951-2345 available by request