4076-0331 Screening compound: 3-(propan-2-yl)-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide

4076-0331 Screening compound: 3-(propan-2-yl)-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide
4076-0331 Screening compound: 3-(propan-2-yl)-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0331
3-(propan-2-yl)-N'-[(1E)-1-(thiophen-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

4076-0331

Molecular Formula

C13H16N4OS (C13 H16 N4 OS)

Compound Name

3-(propan-2-yl)-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

3-(propan-2-yl)-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-5-carbohydrazide

SMILES

CC(C)c1n[nH]c(C(N/N=C(\C)/c2cccs2)=O)c1

InChI

InChI=1S/C13H16N4OS/c1-8(2)10-7-11(16-15-10)13(18)17-14-9(3)12-5-4-6-19-12/h4-8H,1-3H3,(H,15,16)(H,17,18)

InChI Key

BWBUORCJHAHWOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02076228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.27

Polar Surface Area

58.622

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4076-0331 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4076-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0331?
Check Price and Availability of 4076-0331, 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 4076-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0331
  • 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 4076-0331 available by request