4076-0116 Screening compound: 3-(4-fluorophenyl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide

4076-0116 Screening compound: 3-(4-fluorophenyl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide
4076-0116 Screening compound: 3-(4-fluorophenyl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0116
3-(4-fluorophenyl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide

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

4076-0116

Molecular Formula

C16H13FN4O2 (C16 H13 FN4 O2)

Compound Name

3-(4-fluorophenyl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

3-(4-fluorophenyl)-N'-[(1E)-1-(furan-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide

SMILES

C/C(/c1ccco1)=N\NC(c1cc(-c(cc2)ccc2F)n[nH]1)=O

InChI

InChI=1S/C16H13FN4O2/c1-10(15-3-2-8-23-15)18-21-16(22)14-9-13(19-20-14)11-4-6-12(17)7-5-11/h2-9H,1H3,(H,19,20)(H,21,22)

InChI Key

ONSVPHBLHJQIGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02050176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.37

Polar Surface Area

65.910

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4076-0116 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4076-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0116?
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What is the minimum amount of 4076-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0116
  • 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 4076-0116 available by request