F172-0108 Screening compound: N-[2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-2-(trifluoromethyl)benzamide

F172-0108 Screening compound: N-[2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-2-(trifluoromethyl)benzamide
F172-0108 Screening compound: N-[2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F172-0108
N-[2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-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

F172-0108

Molecular Formula

C22H16F3N3O4 (C22 H16 F3 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(ON12)=CC2=NC(COc(cccc2)c2NC(c2c(C(F)(F)F)cccc2)=O)=CC1=O

InChI

InChI=1S/C22H16F3N3O4/c1-13-10-19-26-14(11-20(29)28(19)32-13)12-31-18-9-5-4-8-17(18)27-21(30)15-6-2-3-7-16(15)22(23,24)25/h2-11H,12H2,1H3,(H,27,30)

InChI Key

KVKDZLMIIKARMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-3.68

Polar Surface Area

68.410

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F172-0108 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 F172-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F172-0108?
Check Price and Availability of F172-0108, 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 F172-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F172-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F172-0108
  • 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 F172-0108 available by request