C453-0231 Screening compound: 3-(3-methoxyphenyl)-1-methyl-N-[2-(3-methylphenyl)ethyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide

C453-0231 Screening compound: 3-(3-methoxyphenyl)-1-methyl-N-[2-(3-methylphenyl)ethyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
C453-0231 Screening compound: 3-(3-methoxyphenyl)-1-methyl-N-[2-(3-methylphenyl)ethyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0231
3-(3-methoxyphenyl)-1-methyl-N-[2-(3-methylphenyl)ethyl]-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

C453-0231

Molecular Formula

C23H23N3O2S (C23 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CCNC(c2cc(c(-c3cc(OC)ccc3)nn3C)c3s2)=O)c1

InChI

InChI=1S/C23H23N3O2S/c1-15-6-4-7-16(12-15)10-11-24-22(27)20-14-19-21(25-26(2)23(19)29-20)17-8-5-9-18(13-17)28-3/h4-9,12-14H,10-11H2,1-3H3,(H,24,27)

InChI Key

ZSUXNPAGHXWVGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.35

Polar Surface Area

47.155

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C453-0231 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 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 C453-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0231?
Check Price and Availability of C453-0231, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C453-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0231
  • 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 C453-0231 available by request