C453-0015 Screening compound: 3-(3-methoxyphenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide

C453-0015 Screening compound: 3-(3-methoxyphenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
C453-0015 Screening compound: 3-(3-methoxyphenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C453-0015
3-(3-methoxyphenyl)-1-methyl-N-(4-phenoxyphenyl)-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

C453-0015

Molecular Formula

C26H21N3O3S (C26 H21 N3 O3 S)

Compound Name

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

IUPAC name

3-(3-methoxyphenyl)-1-methyl-N-(4-phenoxyphenyl)-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cn(c1c2cc(C(Nc(cc3)ccc3Oc3ccccc3)=O)s1)nc2-c1cc(OC)ccc1

InChI

InChI=1S/C26H21N3O3S/c1-29-26-22(24(28-29)17-7-6-10-21(15-17)31-2)16-23(33-26)25(30)27-18-11-13-20(14-12-18)32-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,27,30)

InChI Key

WUJCZGOKLJKPBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.087

Distribution Coefficient, logD

6.087

Water Solubility, LogSw

-5.66

Polar Surface Area

52.739

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C453-0015 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C453-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C453-0015?
Check Price and Availability of C453-0015, 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 C453-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C453-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C453-0015
  • 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 C453-0015 available by request