M778-0198 Screening compound: 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide

M778-0198 Screening compound: 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide
M778-0198 Screening compound: 1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M778-0198
1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-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

M778-0198

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

1-[6-(2,3-dimethylphenoxy)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide

IUPAC name

1-[6-(23-dimethylphenoxy)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-4-carboxamide

SMILES

Cc1cccc(Oc2cc(N(CC3)CCC3C(Nc3cccc(SC)c3)=O)ncn2)c1C

InChI

InChI=1S/C25H28N4O2S/c1-17-6-4-9-22(18(17)2)31-24-15-23(26-16-27-24)29-12-10-19(11-13-29)25(30)28-20-7-5-8-21(14-20)32-3/h4-9,14-16,19H,10-13H2,1-3H3,(H,28,30)

InChI Key

CNRWBYQWSCRPJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.305

Distribution Coefficient, logD

5.305

Water Solubility, LogSw

-5.35

Polar Surface Area

52.790

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M778-0198 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with M778-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M778-0198?
Check Price and Availability of M778-0198, 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 M778-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M778-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M778-0198
  • 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 M778-0198 available by request