H025-3055 Screening compound: 3-[(3-chloro-4-fluorophenyl)sulfonyl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidine

H025-3055 Screening compound: 3-[(3-chloro-4-fluorophenyl)sulfonyl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidine
H025-3055 Screening compound: 3-[(3-chloro-4-fluorophenyl)sulfonyl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3055
3-[(3-chloro-4-fluorophenyl)sulfonyl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidine

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

H025-3055

Molecular Formula

C13H9ClFN3O2S2 (C13 H9 ClFN3 O2 S2)

Compound Name

3-[(3-chloro-4-fluorophenyl)sulfonyl]-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidine

IUPAC name

3-(3-chloro-4-fluorobenzenesulfonyl)-2-(methylsulfanyl)pyrazolo[15-a]pyrimidine

SMILES

CSc1nn(cccn2)c2c1S(c(cc1)cc(Cl)c1F)(=O)=O

InChI

InChI=1S/C13H9ClFN3O2S2/c1-21-13-11(12-16-5-2-6-18(12)17-13)22(19,20)8-3-4-10(15)9(14)7-8/h2-7H,1H3

InChI Key

CIJYPUVXZVJNIK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.959

Distribution Coefficient, logD

1.959

Water Solubility, LogSw

-2.64

Polar Surface Area

50.652

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

H025-3055 in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-3055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3055?
Check Price and Availability of H025-3055, 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 H025-3055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3055
  • 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 H025-3055 available by request