H025-3231 Screening compound: N~1~-methyl-2-({3-[(E)-2-(2-pyridyl)-1-ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide

H025-3231 Screening compound: N~1~-methyl-2-({3-[(E)-2-(2-pyridyl)-1-ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide
H025-3231 Screening compound: N~1~-methyl-2-({3-[(E)-2-(2-pyridyl)-1-ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3231
N~1~-methyl-2-({3-[(E)-2-(2-pyridyl)-1-ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide

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

H025-3231

Molecular Formula

C22H18N4OS (C22 H18 N4 OS)

Compound Name

N~1~-methyl-2-({3-[(E)-2-(2-pyridyl)-1-ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide

IUPAC name

N-methyl-2-({3-[(1E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide

SMILES

CNC(c(cccc1)c1Sc(cc1)cc2c1c(/C=C/c1ncccc1)n[nH]2)=O

InChI

InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)

InChI Key

RITAVMQDGBJQJZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-4.21

Polar Surface Area

57.816

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.55

H025-3231 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Annotated Library (688 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-3231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3231?
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What is the minimum amount of H025-3231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3231
  • 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 H025-3231 available by request