D278-0425 Screening compound: ethyl 2-(methylsulfanyl)-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate

D278-0425 Screening compound: ethyl 2-(methylsulfanyl)-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate
D278-0425 Screening compound: ethyl 2-(methylsulfanyl)-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0425
ethyl 2-(methylsulfanyl)-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate

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

D278-0425

Molecular Formula

C17H21N3O3S (C17 H21 N3 O3 S)

Compound Name

ethyl 2-(methylsulfanyl)-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate

IUPAC name

ethyl 2-(methylsulfanyl)-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate

SMILES

CCCOc(cc1)ccc1Nc(nc(nc1)SC)c1C(OCC)=O

InChI

InChI=1S/C17H21N3O3S/c1-4-10-23-13-8-6-12(7-9-13)19-15-14(16(21)22-5-2)11-18-17(20-15)24-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20)

InChI Key

LMSPRGFBAVDMBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982353

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.608

Water Solubility, LogSw

-4.25

Polar Surface Area

55.777

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D278-0425 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Protein Kinases Inhibitors Library (36801 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:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D278-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0425?
Check Price and Availability of D278-0425, 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 D278-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0425
  • 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 D278-0425 available by request