M181-1209 Screening compound: N-[(4-fluorophenyl)methyl]-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetamide

M181-1209 Screening compound: N-[(4-fluorophenyl)methyl]-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetamide
M181-1209 Screening compound: N-[(4-fluorophenyl)methyl]-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M181-1209
N-[(4-fluorophenyl)methyl]-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]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

M181-1209

Molecular Formula

C21H17F4N3OS (C21 H17 F4 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(SCC(NCc(cc2)ccc2F)=O)nc(-c2ccc(C(F)(F)F)cc2)n1

InChI

InChI=1S/C21H17F4N3OS/c1-13-10-19(30-12-18(29)26-11-14-2-8-17(22)9-3-14)28-20(27-13)15-4-6-16(7-5-15)21(23,24)25/h2-10H,11-12H2,1H3,(H,26,29)

InChI Key

QNCCGGUOAZXNQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.45

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

5.328

Distribution Coefficient, logD

5.323

Water Solubility, LogSw

-5.36

Polar Surface Area

41.905

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M181-1209 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M181-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M181-1209?
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What is the minimum amount of M181-1209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M181-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M181-1209
  • 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 M181-1209 available by request