1697-1481 Screening compound: (4E)-3-methyl-4-[2-(4-methyl-3-nitrophenyl)hydrazin-1-ylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

1697-1481 Screening compound: (4E)-3-methyl-4-[2-(4-methyl-3-nitrophenyl)hydrazin-1-ylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
1697-1481 Screening compound: (4E)-3-methyl-4-[2-(4-methyl-3-nitrophenyl)hydrazin-1-ylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1697-1481
(4E)-3-methyl-4-[2-(4-methyl-3-nitrophenyl)hydrazin-1-ylidene]-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

1697-1481

Molecular Formula

C12H12N6O3S (C12 H12 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(/C1=N\Nc2cc([N+]([O-])=O)c(C)cc2)=NN(C(N)=S)C1=O

InChI

InChI=1S/C12H12N6O3S/c1-6-3-4-8(5-9(6)18(20)21)14-15-10-7(2)16-17(11(10)19)12(13)22/h3-5,14H,1-2H3,(H2,13,22)

InChI Key

AYCASPFFQCPCLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.71

Polar Surface Area

95.423

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 1697-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1697-1481?
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What is the minimum amount of 1697-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1697-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1697-1481
  • 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 1697-1481 available by request