C453-0158 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

C453-0158 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
C453-0158 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0158
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-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

C453-0158

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

CCOc(ccc(CCNC(c1cc(c(-c2cc(OC)ccc2)nn2C)c2s1)=O)c1)c1OCC

InChI

InChI=1S/C26H29N3O4S/c1-5-32-21-11-10-17(14-22(21)33-6-2)12-13-27-25(30)23-16-20-24(28-29(3)26(20)34-23)18-8-7-9-19(15-18)31-4/h7-11,14-16H,5-6,12-13H2,1-4H3,(H,27,30)

InChI Key

LLLFYYMRFSLJLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.927

Distribution Coefficient, logD

3.927

Water Solubility, LogSw

-4.09

Polar Surface Area

61.575

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C453-0158 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 C453-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0158?
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What is the minimum amount of C453-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0158
  • 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 C453-0158 available by request