M179-4106 Screening compound: 2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

M179-4106 Screening compound: 2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
M179-4106 Screening compound: 2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4106
2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)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

M179-4106

Molecular Formula

C22H30N4OS (C22 H30 N4 OS)

Compound Name

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

IUPAC name

2-{[6-(35-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

CC(CC(C)C1)CN1c1cc(SCC(Nc2c(C)cc(C)cc2C)=O)ncn1

InChI

InChI=1S/C22H30N4OS/c1-14-7-17(4)22(18(5)8-14)25-20(27)12-28-21-9-19(23-13-24-21)26-10-15(2)6-16(3)11-26/h7-9,13,15-16H,6,10-12H2,1-5H3,(H,25,27)

InChI Key

KIACOLNCCBGJCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.57

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

5.052

Distribution Coefficient, logD

5.052

Water Solubility, LogSw

-4.63

Polar Surface Area

43.674

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

M179-4106 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M179-4106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4106?
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What is the minimum amount of M179-4106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4106
  • 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 M179-4106 available by request