0974-0030 Screening compound: N'-[(Z)-(5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

0974-0030 Screening compound: N'-[(Z)-(5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
0974-0030 Screening compound: N'-[(Z)-(5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0974-0030
N'-[(Z)-(5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

0974-0030

Molecular Formula

C26H24N4O2S (C26 H24 N4 O2 S)

Compound Name

N'-[(Z)-(5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

IUPAC name

N'-[(Z)-(5-methyl-3-oxo-12-diphenyl-23-dihydro-1H-pyrazol-4-yl)methylidene]-4567-tetrahydro-1-benzothiophene-3-carbohydrazide

SMILES

CC(N(c1ccccc1)N1c2ccccc2)=C(/C=N\NC(c2csc3c2CCCC3)=O)C1=O

InChI

InChI=1S/C26H24N4O2S/c1-18-22(16-27-28-25(31)23-17-33-24-15-9-8-14-21(23)24)26(32)30(20-12-6-3-7-13-20)29(18)19-10-4-2-5-11-19/h2-7,10-13,16-17H,8-9,14-15H2,1H3,(H,28,31)

InChI Key

ZOIHORYYOXIAMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.48

Polar Surface Area

56.935

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

0974-0030 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0974-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0974-0030?
Check Price and Availability of 0974-0030, 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 0974-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0974-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0974-0030
  • 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 0974-0030 available by request