D288-0101 Screening compound: 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate

D288-0101 Screening compound: 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate
D288-0101 Screening compound: 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D288-0101
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-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

D288-0101

Molecular Formula

C21H19N5O2S (C21 H19 N5 O2 S)

Compound Name

2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate

IUPAC name

2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate

SMILES

Cc(cc1)ccc1-c1nc(SC)nc(NCCOC(c2ccncc2)=O)c1C#N

InChI

InChI=1S/C21H19N5O2S/c1-14-3-5-15(6-4-14)18-17(13-22)19(26-21(25-18)29-2)24-11-12-28-20(27)16-7-9-23-10-8-16/h3-10H,11-12H2,1-2H3,(H,24,25,26)

InChI Key

SJWDOEUUBCQGMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08154876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.26

Polar Surface Area

76.279

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D288-0101 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D288-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D288-0101?
Check Price and Availability of D288-0101, 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 D288-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D288-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D288-0101
  • 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 D288-0101 available by request