C243-0392 Screening compound: N~2~-(3,4-dimethylphenyl)-N~2~-ethyl-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

C243-0392 Screening compound: N~2~-(3,4-dimethylphenyl)-N~2~-ethyl-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
C243-0392 Screening compound: N~2~-(3,4-dimethylphenyl)-N~2~-ethyl-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 C243-0392
N~2~-(3,4-dimethylphenyl)-N~2~-ethyl-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

C243-0392

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-N-ethyl-10-methyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaene-5-carboxamide

SMILES

CCN(C(c1cc(C(N(C=CC=C2C)C2=N2)=O)c2s1)=O)c1cc(C)c(C)cc1

InChI

InChI=1S/C22H21N3O2S/c1-5-24(16-9-8-13(2)15(4)11-16)22(27)18-12-17-20(28-18)23-19-14(3)7-6-10-25(19)21(17)26/h6-12H,5H2,1-4H3

InChI Key

MUBMDXBSXYZPHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.62

Polar Surface Area

39.755

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C243-0392 in Drug Discovery

Included in Screening Libraries

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 C243-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C243-0392?
Check Price and Availability of C243-0392, 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 C243-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C243-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C243-0392
  • 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 C243-0392 available by request