M179-4101 Screening compound: 2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide

M179-4101 Screening compound: 2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
M179-4101 Screening compound: 2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-4101
2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)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

M179-4101

Molecular Formula

C20H26N4OS (C20 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(C)C1)CN1c1cc(SCC(Nc2c(C)cccc2)=O)ncn1

InChI

InChI=1S/C20H26N4OS/c1-14-8-15(2)11-24(10-14)18-9-20(22-13-21-18)26-12-19(25)23-17-7-5-4-6-16(17)3/h4-7,9,13-15H,8,10-12H2,1-3H3,(H,23,25)

InChI Key

UGCMDYZJNLSTOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.52

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

4.333

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.21

Polar Surface Area

44.372

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with M179-4101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-4101?
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What is the minimum amount of M179-4101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-4101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-4101
  • 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 M179-4101 available by request