C498-0744 Screening compound: 1-(2-fluorophenyl)-4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazine

C498-0744 Screening compound: 1-(2-fluorophenyl)-4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazine
C498-0744 Screening compound: 1-(2-fluorophenyl)-4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0744
1-(2-fluorophenyl)-4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazine

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

C498-0744

Molecular Formula

C23H20F2N4OS (C23 H20 F2 N4 OS)

Compound Name

1-(2-fluorophenyl)-4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazine

IUPAC name

1-(2-fluorophenyl)-4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carbonyl]piperazine

SMILES

Cn(c1c2cc(C(N(CC3)CCN3c(cccc3)c3F)=O)s1)nc2-c(cccc1)c1F

InChI

InChI=1S/C23H20F2N4OS/c1-27-23-16(21(26-27)15-6-2-3-7-17(15)24)14-20(31-23)22(30)29-12-10-28(11-13-29)19-9-5-4-8-18(19)25/h2-9,14H,10-13H2,1H3

InChI Key

XNRVXBGWLQOKSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.33

Polar Surface Area

34.964

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C498-0744 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C498-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0744?
Check Price and Availability of C498-0744, 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 C498-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0744
  • 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 C498-0744 available by request