S213-1496 Screening compound: N-[(oxolan-3-yl)methyl]-N-propyl-2-(trifluoromethyl)benzamide

S213-1496 Screening compound: N-[(oxolan-3-yl)methyl]-N-propyl-2-(trifluoromethyl)benzamide
S213-1496 Screening compound: N-[(oxolan-3-yl)methyl]-N-propyl-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1496
N-[(oxolan-3-yl)methyl]-N-propyl-2-(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

S213-1496

Molecular Formula

C16H20F3NO2 (C16 H20 F3 NO2)

Compound Name

N-[(oxolan-3-yl)methyl]-N-propyl-2-(trifluoromethyl)benzamide

IUPAC name

N-[(oxolan-3-yl)methyl]-N-propyl-2-(trifluoromethyl)benzamide

SMILES

CCCN(CC1COCC1)C(c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C16H20F3NO2/c1-2-8-20(10-12-7-9-22-11-12)15(21)13-5-3-4-6-14(13)16(17,18)19/h3-6,12H,2,7-11H2,1H3/t12-/m1/s1

InChI Key

HIROBCFZXBNACG-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD28993821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.110

Distribution Coefficient, logD

3.110

Water Solubility, LogSw

-3.39

Polar Surface Area

25.393

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

S213-1496 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S213-1496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1496?
Check Price and Availability of S213-1496, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S213-1496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1496
  • 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 S213-1496 available by request