D054-0025 Screening compound: 5-chloro-2-(methylsulfanyl)-N-(pyridin-3-yl)pyrimidine-4-carboxamide

D054-0025 Screening compound: 5-chloro-2-(methylsulfanyl)-N-(pyridin-3-yl)pyrimidine-4-carboxamide
D054-0025 Screening compound: 5-chloro-2-(methylsulfanyl)-N-(pyridin-3-yl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0025
5-chloro-2-(methylsulfanyl)-N-(pyridin-3-yl)pyrimidine-4-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

D054-0025

Molecular Formula

C11H9ClN4OS (C11 H9 ClN4 OS)

Compound Name

5-chloro-2-(methylsulfanyl)-N-(pyridin-3-yl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-(methylsulfanyl)-N-(pyridin-3-yl)pyrimidine-4-carboxamide

SMILES

CSc(nc1)nc(C(Nc2cnccc2)=O)c1Cl

InChI

InChI=1S/C11H9ClN4OS/c1-18-11-14-6-8(12)9(16-11)10(17)15-7-3-2-4-13-5-7/h2-6H,1H3,(H,15,17)

InChI Key

QTHZLYHZGGWBQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-3.09

Polar Surface Area

51.433

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D054-0025 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D054-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0025?
Check Price and Availability of D054-0025, 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 D054-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0025
  • 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 D054-0025 available by request