M179-4178 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

M179-4178 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide
M179-4178 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4178
N-(3-chloro-4-fluorophenyl)-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

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

M179-4178

Molecular Formula

C19H22ClFN4OS (C19 H22 ClFN4 OS)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{[6-(35-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

SMILES

CC(CC(C)C1)CN1c1cc(SCC(Nc(cc2)cc(Cl)c2F)=O)ncn1

InChI

InChI=1S/C19H22ClFN4OS/c1-12-5-13(2)9-25(8-12)17-7-19(23-11-22-17)27-10-18(26)24-14-3-4-16(21)15(20)6-14/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,24,26)

InChI Key

WYPWITYLPHGZQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.259

Water Solubility, LogSw

-5.89

Polar Surface Area

45.070

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

M179-4178 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with M179-4178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4178?
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What is the minimum amount of M179-4178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4178
  • 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 M179-4178 available by request