C243-0357 Screening compound: 9-methyl-4-oxo-N~2~-phenethyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

C243-0357 Screening compound: 9-methyl-4-oxo-N~2~-phenethyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
C243-0357 Screening compound: 9-methyl-4-oxo-N~2~-phenethyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C243-0357
9-methyl-4-oxo-N~2~-phenethyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-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

C243-0357

Molecular Formula

C20H17N3O2S (C20 H17 N3 O2 S)

Compound Name

9-methyl-4-oxo-N~2~-phenethyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

10-methyl-2-oxo-N-(2-phenylethyl)-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carboxamide

SMILES

CC1=CC=CN2C1=Nc(sc(C(NCCc1ccccc1)=O)c1)c1C2=O

InChI

InChI=1S/C20H17N3O2S/c1-13-6-5-11-23-17(13)22-19-15(20(23)25)12-16(26-19)18(24)21-10-9-14-7-3-2-4-8-14/h2-8,11-12H,9-10H2,1H3,(H,21,24)

InChI Key

HDOHTIGJTWUHHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.50

Polar Surface Area

48.662

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C243-0357 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C243-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0357?
Check Price and Availability of C243-0357, 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 C243-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0357
  • 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 C243-0357 available by request