M675-0198 Screening compound: N-[(2-{1-[2-CHLORO-5-(METHYLSULFANYL)BENZOYL]PIPERIDIN-4-YL}-1,3-THIAZOL-4-YL)METHYL]PROPANAMIDE

M675-0198 Screening compound: N-[(2-{1-[2-CHLORO-5-(METHYLSULFANYL)BENZOYL]PIPERIDIN-4-YL}-1,3-THIAZOL-4-YL)METHYL]PROPANAMIDE
M675-0198 Screening compound: N-[(2-{1-[2-CHLORO-5-(METHYLSULFANYL)BENZOYL]PIPERIDIN-4-YL}-1,3-THIAZOL-4-YL)METHYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound M675-0198
N-[(2-{1-[2-CHLORO-5-(METHYLSULFANYL)BENZOYL]PIPERIDIN-4-YL}-1,3-THIAZOL-4-YL)METHYL]PROPANAMIDE

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

M675-0198

Molecular Formula

C20H24ClN3O2S2 (C20 H24 ClN3 O2 S2)

Compound Name

N-[(2-{1-[2-CHLORO-5-(METHYLSULFANYL)BENZOYL]PIPERIDIN-4-YL}-1,3-THIAZOL-4-YL)METHYL]PROPANAMIDE

IUPAC name

n/a

SMILES

CCC(NCc1csc(C(CC2)CCN2C(c(cc(cc2)SC)c2Cl)=O)n1)=O

InChI

InChI=1S/C20H24ClN3O2S2/c1-3-18(25)22-11-14-12-28-19(23-14)13-6-8-24(9-7-13)20(26)16-10-15(27-2)4-5-17(16)21/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,22,25)

InChI Key

AFBJXRDPCKCRQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.15

Polar Surface Area

51.587

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

M675-0198 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M675-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M675-0198?
Check Price and Availability of M675-0198, 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 M675-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M675-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M675-0198
  • 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 M675-0198 available by request