4076-0137 Screening compound: N'-[(1E)-1-(furan-2-yl)ethylidene]-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbohydrazide

4076-0137 Screening compound: N'-[(1E)-1-(furan-2-yl)ethylidene]-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbohydrazide
4076-0137 Screening compound: N'-[(1E)-1-(furan-2-yl)ethylidene]-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0137
N'-[(1E)-1-(furan-2-yl)ethylidene]-3-(5-methylthiophen-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

4076-0137

Molecular Formula

C15H14N4O2S (C15 H14 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

C/C(/c1ccco1)=N\NC(c1cc(-c2ccc(C)s2)n[nH]1)=O

InChI

InChI=1S/C15H14N4O2S/c1-9-5-6-14(22-9)11-8-12(18-17-11)15(20)19-16-10(2)13-4-3-7-21-13/h3-8H,1-2H3,(H,17,18)(H,19,20)

InChI Key

YCYMEVMBIOIRHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02074691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.37

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

3.453

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.74

Polar Surface Area

66.928

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4076-0137 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4076-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0137?
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What is the minimum amount of 4076-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0137
  • 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 4076-0137 available by request