D054-0036 Screening compound: 5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide

D054-0036 Screening compound: 5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
D054-0036 Screening compound: 5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0036
5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)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

D054-0036

Molecular Formula

C14H14ClN3OS (C14 H14 ClN3 OS)

Compound Name

5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-[(4-methylphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide

SMILES

Cc1ccc(CNC(c(nc(nc2)SC)c2Cl)=O)cc1

InChI

InChI=1S/C14H14ClN3OS/c1-9-3-5-10(6-4-9)7-16-13(19)12-11(15)8-17-14(18-12)20-2/h3-6,8H,7H2,1-2H3,(H,16,19)

InChI Key

ILFRITVAVLHJRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.48

Polar Surface Area

43.237

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D054-0036 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D054-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0036?
Check Price and Availability of D054-0036, 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 D054-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0036
  • 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 D054-0036 available by request