8012-4458 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-2-(methylsulfanyl)benzamide

8012-4458 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-2-(methylsulfanyl)benzamide
8012-4458 Screening compound: N-[3,5-bis(trifluoromethyl)phenyl]-2-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4458
N-[3,5-bis(trifluoromethyl)phenyl]-2-(methylsulfanyl)benzamide

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

8012-4458

Molecular Formula

C16H11F6NOS (C16 H11 F6 NOS)

Compound Name

N-[3,5-bis(trifluoromethyl)phenyl]-2-(methylsulfanyl)benzamide

IUPAC name

N-[35-bis(trifluoromethyl)phenyl]-2-(methylsulfanyl)benzamide

SMILES

CSc(cccc1)c1C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O

InChI

InChI=1S/C16H11F6NOS/c1-25-13-5-3-2-4-12(13)14(24)23-11-7-9(15(17,18)19)6-10(8-11)16(20,21)22/h2-8H,1H3,(H,23,24)

InChI Key

OONLHBIUGVEMJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.423

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-5.51

Polar Surface Area

23.330

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8012-4458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4458?
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What is the minimum amount of 8012-4458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4458
  • 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 8012-4458 available by request