M181-0269 Screening compound: N-(3,4-dimethoxyphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetamide

M181-0269 Screening compound: N-(3,4-dimethoxyphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetamide
M181-0269 Screening compound: N-(3,4-dimethoxyphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M181-0269
N-(3,4-dimethoxyphenyl)-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

M181-0269

Molecular Formula

C22H20F3N3O3S (C22 H20 F3 N3 O3 S)

Compound Name

N-(3,4-dimethoxyphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetamide

IUPAC name

N-(34-dimethoxyphenyl)-2-({6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}sulfanyl)acetamide

SMILES

Cc1cc(SCC(Nc(cc2)cc(OC)c2OC)=O)nc(-c2ccc(C(F)(F)F)cc2)n1

InChI

InChI=1S/C22H20F3N3O3S/c1-13-10-20(28-21(26-13)14-4-6-15(7-5-14)22(23,24)25)32-12-19(29)27-16-8-9-17(30-2)18(11-16)31-3/h4-11H,12H2,1-3H3,(H,27,29)

InChI Key

GIEXQGIEWQGTSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

5.147

Water Solubility, LogSw

-5.06

Polar Surface Area

55.844

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M181-0269 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 M181-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M181-0269?
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What is the minimum amount of M181-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M181-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M181-0269
  • 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 M181-0269 available by request