C498-0927 Screening compound: N-[2-(4-BENZYLPIPERAZIN-1-YL)ETHYL]-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE

C498-0927 Screening compound: N-[2-(4-BENZYLPIPERAZIN-1-YL)ETHYL]-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE
C498-0927 Screening compound: N-[2-(4-BENZYLPIPERAZIN-1-YL)ETHYL]-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0927
N-[2-(4-BENZYLPIPERAZIN-1-YL)ETHYL]-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE

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

C498-0927

Molecular Formula

C26H28FN5OS (C26 H28 FN5 OS)

Compound Name

N-[2-(4-BENZYLPIPERAZIN-1-YL)ETHYL]-3-(2-FLUOROPHENYL)-1-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cn(c1c2cc(C(NCCN3CCN(Cc4ccccc4)CC3)=O)s1)nc2-c(cccc1)c1F

InChI

InChI=1S/C26H28FN5OS/c1-30-26-21(24(29-30)20-9-5-6-10-22(20)27)17-23(34-26)25(33)28-11-12-31-13-15-32(16-14-31)18-19-7-3-2-4-8-19/h2-10,17H,11-16,18H2,1H3,(H,28,33)

InChI Key

QUCQSPBIZPROGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.82

Polar Surface Area

47.134

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C498-0927 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • 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 C498-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0927?
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What is the minimum amount of C498-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0927
  • 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 C498-0927 available by request