P970-0400 Screening compound: N-[(4-methyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide

P970-0400 Screening compound: N-[(4-methyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide
P970-0400 Screening compound: N-[(4-methyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-0400
N-[(4-methyloxan-4-yl)methyl]-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

P970-0400

Molecular Formula

C15H18F3NO2 (C15 H18 F3 NO2)

Compound Name

N-[(4-methyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[(4-methyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide

SMILES

CC1(CNC(c2cccc(C(F)(F)F)c2)=O)CCOCC1

InChI

InChI=1S/C15H18F3NO2/c1-14(5-7-21-8-6-14)10-19-13(20)11-3-2-4-12(9-11)15(16,17)18/h2-4,9H,5-8,10H2,1H3,(H,19,20)

InChI Key

YVJOCFUMIBJTMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27616376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.35

Polar Surface Area

32.752

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

P970-0400 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P970-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-0400?
Check Price and Availability of P970-0400, 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 P970-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-0400
  • 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 P970-0400 available by request