4720-2049 Screening compound: 8-(4-chlorophenyl)-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

4720-2049 Screening compound: 8-(4-chlorophenyl)-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
4720-2049 Screening compound: 8-(4-chlorophenyl)-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4720-2049
8-(4-chlorophenyl)-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

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

4720-2049

Molecular Formula

C14H10ClN3OS (C14 H10 ClN3 OS)

Compound Name

8-(4-chlorophenyl)-6-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

IUPAC name

8-(4-chlorophenyl)-6-oxo-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carbonitrile

SMILES

N#CC1=C(c(cc2)ccc2Cl)N=C2SCCCN2C1=O

InChI

InChI=1S/C14H10ClN3OS/c15-10-4-2-9(3-5-10)12-11(8-16)13(19)18-6-1-7-20-14(18)17-12/h2-5H,1,6-7H2

InChI Key

KCNBYJLHYHDGMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02983031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.62

Polar Surface Area

42.929

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

4720-2049 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4720-2049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4720-2049?
Check Price and Availability of 4720-2049, 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 4720-2049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4720-2049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4720-2049
  • 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 4720-2049 available by request