S213-1753 Screening compound: N-methyl-N-(tetrahydro-3-furanylmethyl)-3-(trifluoromethyl)benzamide

S213-1753 Screening compound: N-methyl-N-(tetrahydro-3-furanylmethyl)-3-(trifluoromethyl)benzamide
S213-1753 Screening compound: N-methyl-N-(tetrahydro-3-furanylmethyl)-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1753
N-methyl-N-(tetrahydro-3-furanylmethyl)-3-(trifluoromethyl)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

S213-1753

Molecular Formula

C14H16F3NO2 (C14 H16 F3 NO2)

Compound Name

N-methyl-N-(tetrahydro-3-furanylmethyl)-3-(trifluoromethyl)benzamide

IUPAC name

N-methyl-N-[(oxolan-3-yl)methyl]-3-(trifluoromethyl)benzamide

SMILES

CN(CC1COCC1)C(c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C14H16F3NO2/c1-18(8-10-5-6-20-9-10)13(19)11-3-2-4-12(7-11)14(15,16)17/h2-4,7,10H,5-6,8-9H2,1H3/t10-/m1/s1

InChI Key

SRPCCBFVTAQVJV-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.240

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-2.57

Polar Surface Area

25.354

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S213-1753 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S213-1753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1753?
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What is the minimum amount of S213-1753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1753
  • 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 S213-1753 available by request