F950-0042 Screening compound: N-[(3-{3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

F950-0042 Screening compound: N-[(3-{3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
F950-0042 Screening compound: N-[(3-{3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F950-0042
N-[(3-{3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

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

F950-0042

Molecular Formula

C21H17N5O3S2 (C21 H17 N5 O3 S2)

Compound Name

N-[(3-{3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

IUPAC name

N-[(3-{3-methyl-1-phenyl-1H-thieno[23-c]pyrazol-5-yl}-124-oxadiazol-5-yl)methyl]benzenesulfonamide

SMILES

Cc(c1c2sc(-c3noc(CNS(c4ccccc4)(=O)=O)n3)c1)nn2-c1ccccc1

InChI

InChI=1S/C21H17N5O3S2/c1-14-17-12-18(30-21(17)26(24-14)15-8-4-2-5-9-15)20-23-19(29-25-20)13-22-31(27,28)16-10-6-3-7-11-16/h2-12,22H,13H2,1H3

InChI Key

NBVDWKUCTRWSLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.27

Polar Surface Area

88.114

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

F950-0042 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F950-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F950-0042?
Check Price and Availability of F950-0042, 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 F950-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F950-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F950-0042
  • 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 F950-0042 available by request