F172-0268 Screening compound: N-[4-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

F172-0268 Screening compound: N-[4-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
F172-0268 Screening compound: N-[4-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F172-0268
N-[4-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]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

F172-0268

Molecular Formula

C23H18F3N3O5 (C23 H18 F3 N3 O5)

Compound Name

N-[4-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

IUPAC name

N-[4-({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

SMILES

CC(ON12)=CC2=NC(COc(cc2)ccc2NC(COc2cccc(C(F)(F)F)c2)=O)=CC1=O

InChI

InChI=1S/C23H18F3N3O5/c1-14-9-20-27-17(11-22(31)29(20)34-14)12-32-18-7-5-16(6-8-18)28-21(30)13-33-19-4-2-3-15(10-19)23(24,25)26/h2-11H,12-13H2,1H3,(H,28,30)

InChI Key

PNCNKCVPCVYENT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.56

Polar Surface Area

76.306

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F172-0268 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F172-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F172-0268?
Check Price and Availability of F172-0268, 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 F172-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F172-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F172-0268
  • 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 F172-0268 available by request