4076-0098 Screening compound: N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(furan-2-yl)-1H-pyrazole-5-carbohydrazide

4076-0098 Screening compound: N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(furan-2-yl)-1H-pyrazole-5-carbohydrazide
4076-0098 Screening compound: N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(furan-2-yl)-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0098
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(furan-2-yl)-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

4076-0098

Molecular Formula

C20H18N6O2 (C20 H18 N6 O2)

Compound Name

N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(furan-2-yl)-1H-pyrazole-5-carbohydrazide

IUPAC name

N'-[(E)-(35-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(furan-2-yl)-1H-pyrazole-5-carbohydrazide

SMILES

Cc1c(/C=N/NC(c2cc(-c3ccco3)n[nH]2)=O)c(C)nn1-c1ccccc1

InChI

InChI=1S/C20H18N6O2/c1-13-16(14(2)26(25-13)15-7-4-3-5-8-15)12-21-24-20(27)18-11-17(22-23-18)19-9-6-10-28-19/h3-12H,1-2H3,(H,22,23)(H,24,27)

InChI Key

LBYVUMFPKQZUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01913912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-3.40

Polar Surface Area

81.040

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 4076-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0098?
Check Price and Availability of 4076-0098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4076-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0098
  • 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 4076-0098 available by request