3341-1621 Screening compound: 9-methyl-2-[(6-methylpyrimidin-4-yl)sulfanyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

3341-1621 Screening compound: 9-methyl-2-[(6-methylpyrimidin-4-yl)sulfanyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
3341-1621 Screening compound: 9-methyl-2-[(6-methylpyrimidin-4-yl)sulfanyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-1621
9-methyl-2-[(6-methylpyrimidin-4-yl)sulfanyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

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

3341-1621

Molecular Formula

C15H12N4O2S (C15 H12 N4 O2 S)

Compound Name

9-methyl-2-[(6-methylpyrimidin-4-yl)sulfanyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

IUPAC name

9-methyl-2-[(6-methylpyrimidin-4-yl)sulfanyl]-4-oxo-4H-pyrido[12-a]pyrimidine-3-carbaldehyde

SMILES

Cc1cc(SC(N=C2N3C=CC=C2C)=C(C=O)C3=O)ncn1

InChI

InChI=1S/C15H12N4O2S/c1-9-4-3-5-19-13(9)18-14(11(7-20)15(19)21)22-12-6-10(2)16-8-17-12/h3-8H,1-2H3

InChI Key

XHMNZOJPIYPGQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02364865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

1.528

Water Solubility, LogSw

-1.83

Polar Surface Area

56.713

Acid Dissociation Constant (pKa)

30.87

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3341-1621 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3341-1621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-1621?
Check Price and Availability of 3341-1621, 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 3341-1621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-1621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-1621
  • 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 3341-1621 available by request