M181-1192 Screening compound: 2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide

M181-1192 Screening compound: 2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
M181-1192 Screening compound: 2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M181-1192
2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)-N-[(4-methylphenyl)methyl]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

M181-1192

Molecular Formula

C22H20F3N3OS (C22 H20 F3 N3 OS)

Compound Name

2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CSc2nc(-c3ccc(C(F)(F)F)cc3)nc(C)c2)=O)cc1

InChI

InChI=1S/C22H20F3N3OS/c1-14-3-5-16(6-4-14)12-26-19(29)13-30-20-11-15(2)27-21(28-20)17-7-9-18(10-8-17)22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,29)

InChI Key

XDGOBKMVYFJXQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.717

Water Solubility, LogSw

-5.38

Polar Surface Area

41.905

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with M181-1192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M181-1192?
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What is the minimum amount of M181-1192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M181-1192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M181-1192
  • 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 M181-1192 available by request