M181-1010 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetamide

M181-1010 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetamide
M181-1010 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M181-1010
N-[(4-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-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

M181-1010

Molecular Formula

C20H17ClFN3OS (C20 H17 ClFN3 OS)

Compound Name

N-[(4-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanyl}acetamide

SMILES

Cc1cc(SCC(NCc(cc2)ccc2Cl)=O)nc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C20H17ClFN3OS/c1-13-10-19(25-20(24-13)15-4-8-17(22)9-5-15)27-12-18(26)23-11-14-2-6-16(21)7-3-14/h2-10H,11-12H2,1H3,(H,23,26)

InChI Key

DGBBCZGSFZLVPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20737127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.050

Distribution Coefficient, logD

5.049

Water Solubility, LogSw

-5.25

Polar Surface Area

41.905

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M181-1010 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 M181-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M181-1010?
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What is the minimum amount of M181-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M181-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M181-1010
  • 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 M181-1010 available by request