8012-5148 Screening compound: 2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

8012-5148 Screening compound: 2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
8012-5148 Screening compound: 2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5148
2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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

8012-5148

Molecular Formula

C17H15F3N2O2S (C17 H15 F3 N2 O2 S)

Compound Name

2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSCC(Nc1cc(C(F)(F)F)ccc1)=O)Nc1ccccc1

InChI

InChI=1S/C17H15F3N2O2S/c18-17(19,20)12-5-4-8-14(9-12)22-16(24)11-25-10-15(23)21-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,23)(H,22,24)

InChI Key

ODYMSPUZARYCRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01249950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.30

Polar Surface Area

46.266

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8012-5148 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-5148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5148?
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What is the minimum amount of 8012-5148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5148
  • 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 8012-5148 available by request