C453-0169 Screening compound: 1-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C453-0169 Screening compound: 1-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
C453-0169 Screening compound: 1-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0169
1-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]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

C453-0169

Molecular Formula

C25H23F3N4O2S (C25 H23 F3 N4 O2 S)

Compound Name

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

IUPAC name

1-[3-(3-methoxyphenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cn(c1c2cc(C(N(CC3)CCN3c3cc(C(F)(F)F)ccc3)=O)s1)nc2-c1cc(OC)ccc1

InChI

InChI=1S/C25H23F3N4O2S/c1-30-24-20(22(29-30)16-5-3-8-19(13-16)34-2)15-21(35-24)23(33)32-11-9-31(10-12-32)18-7-4-6-17(14-18)25(26,27)28/h3-8,13-15H,9-12H2,1-2H3

InChI Key

KIRFHIAUUXUAMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-5.15

Polar Surface Area

42.809

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C453-0169 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C453-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0169?
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What is the minimum amount of C453-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0169
  • 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 C453-0169 available by request