C243-0342 Screening compound: N~2~-(3,3-diphenylpropyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

C243-0342 Screening compound: N~2~-(3,3-diphenylpropyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
C243-0342 Screening compound: N~2~-(3,3-diphenylpropyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C243-0342
N~2~-(3,3-diphenylpropyl)-9-methyl-4-oxo-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

C243-0342

Molecular Formula

C27H23N3O2S (C27 H23 N3 O2 S)

Compound Name

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

IUPAC name

N-(33-diphenylpropyl)-10-methyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carboxamide

SMILES

CC1=CC=CN2C1=Nc(sc(C(NCCC(c1ccccc1)c1ccccc1)=O)c1)c1C2=O

InChI

InChI=1S/C27H23N3O2S/c1-18-9-8-16-30-24(18)29-26-22(27(30)32)17-23(33-26)25(31)28-15-14-21(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-13,16-17,21H,14-15H2,1H3,(H,28,31)

InChI Key

HKSXOKJBRJFHEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.068

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-4.71

Polar Surface Area

48.391

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C243-0342 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C243-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0342?
Check Price and Availability of C243-0342, 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 C243-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0342
  • 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 C243-0342 available by request