K007-0931 Screening compound: N'-[(1E)-1-(1-benzothiophen-3-yl)ethylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

K007-0931 Screening compound: N'-[(1E)-1-(1-benzothiophen-3-yl)ethylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
K007-0931 Screening compound: N'-[(1E)-1-(1-benzothiophen-3-yl)ethylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K007-0931
N'-[(1E)-1-(1-benzothiophen-3-yl)ethylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-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

K007-0931

Molecular Formula

C21H15F3N4OS (C21 H15 F3 N4 OS)

Compound Name

N'-[(1E)-1-(1-benzothiophen-3-yl)ethylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

IUPAC name

N'-[(1E)-1-(1-benzothiophen-3-yl)ethylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

SMILES

C/C(/c1csc2c1cccc2)=N\NC(c1c(C(F)(F)F)n(-c2ccccc2)nc1)=O

InChI

InChI=1S/C21H15F3N4OS/c1-13(17-12-30-18-10-6-5-9-15(17)18)26-27-20(29)16-11-25-28(19(16)21(22,23)24)14-7-3-2-4-8-14/h2-12H,1H3,(H,27,29)

InChI Key

AGYPHGIXGJXSKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.66

Polar Surface Area

48.683

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K007-0931 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 K007-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K007-0931?
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What is the minimum amount of K007-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K007-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K007-0931
  • 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 K007-0931 available by request