C498-0919 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C498-0919 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C498-0919 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0919
N-[3-(4-benzylpiperazin-1-yl)propyl]-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

C498-0919

Molecular Formula

C27H30FN5OS (C27 H30 FN5 OS)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-fluorophenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cn(c1c2cc(C(NCCCN3CCN(Cc4ccccc4)CC3)=O)s1)nc2-c(cccc1)c1F

InChI

InChI=1S/C27H30FN5OS/c1-31-27-22(25(30-31)21-10-5-6-11-23(21)28)18-24(35-27)26(34)29-12-7-13-32-14-16-33(17-15-32)19-20-8-3-2-4-9-20/h2-6,8-11,18H,7,12-17,19H2,1H3,(H,29,34)

InChI Key

GDLVBOWMMBSUAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

2.707

Water Solubility, LogSw

-3.93

Polar Surface Area

47.134

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C498-0919 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 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 C498-0919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0919?
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What is the minimum amount of C498-0919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0919
  • 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 C498-0919 available by request