1697-1339 Screening compound: (4Z)-3-methyl-4-[2-(3-nitrophenyl)hydrazin-1-ylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

1697-1339 Screening compound: (4Z)-3-methyl-4-[2-(3-nitrophenyl)hydrazin-1-ylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
1697-1339 Screening compound: (4Z)-3-methyl-4-[2-(3-nitrophenyl)hydrazin-1-ylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1697-1339
(4Z)-3-methyl-4-[2-(3-nitrophenyl)hydrazin-1-ylidene]-1-phenyl-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

1697-1339

Molecular Formula

C16H13N5O3 (C16 H13 N5 O3)

Compound Name

(4Z)-3-methyl-4-[2-(3-nitrophenyl)hydrazin-1-ylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-3-methyl-4-[2-(3-nitrophenyl)hydrazin-1-ylidene]-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=N/Nc2cccc([N+]([O-])=O)c2)=NN1c1ccccc1

InChI

InChI=1S/C16H13N5O3/c1-11-15(16(22)20(19-11)13-7-3-2-4-8-13)18-17-12-6-5-9-14(10-12)21(23)24/h2-10,17H,1H3

InChI Key

FURULAWSZQWQKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00507913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.72

Polar Surface Area

78.943

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1697-1339 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1697-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1697-1339?
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What is the minimum amount of 1697-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1697-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1697-1339
  • 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 1697-1339 available by request