C498-0879 Screening compound: 1-(4-{4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl}phenyl)ethan-1-one

C498-0879 Screening compound: 1-(4-{4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
C498-0879 Screening compound: 1-(4-{4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0879
1-(4-{4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl}phenyl)ethan-1-one

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

C498-0879

Molecular Formula

C25H23FN4O2S (C25 H23 FN4 O2 S)

Compound Name

1-(4-{4-[3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl}phenyl)ethan-1-one

IUPAC name

n/a

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(c1cc(c(-c(cccc2)c2F)nn2C)c2s1)=O)=O

InChI

InChI=1S/C25H23FN4O2S/c1-16(31)17-7-9-18(10-8-17)29-11-13-30(14-12-29)24(32)22-15-20-23(27-28(2)25(20)33-22)19-5-3-4-6-21(19)26/h3-10,15H,11-14H2,1-2H3

InChI Key

FYIPTLJERPYMPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.841

Water Solubility, LogSw

-3.92

Polar Surface Area

49.092

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C498-0879 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C498-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0879?
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What is the minimum amount of C498-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0879
  • 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 C498-0879 available by request