H025-0615 Screening compound: 2-(methylsulfanyl)-3-(phenylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]benzimidazole

H025-0615 Screening compound: 2-(methylsulfanyl)-3-(phenylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]benzimidazole
H025-0615 Screening compound: 2-(methylsulfanyl)-3-(phenylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0615
2-(methylsulfanyl)-3-(phenylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]benzimidazole

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

H025-0615

Molecular Formula

C16H17N3O2S2 (C16 H17 N3 O2 S2)

Compound Name

2-(methylsulfanyl)-3-(phenylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]benzimidazole

IUPAC name

5-(benzenesulfonyl)-4-(methylsulfanyl)-237-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35-triene

SMILES

CSc1nn(c(CCCC2)c2[nH]2)c2c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C16H17N3O2S2/c1-22-16-14(23(20,21)11-7-3-2-4-8-11)15-17-12-9-5-6-10-13(12)19(15)18-16/h2-4,7-8,17H,5-6,9-10H2,1H3

InChI Key

OSBLBISRJQIAOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.25

Polar Surface Area

54.357

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

H025-0615 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H025-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0615?
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What is the minimum amount of H025-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0615
  • 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 H025-0615 available by request