F172-0874 Screening compound: N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylpropanamide

F172-0874 Screening compound: N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylpropanamide
F172-0874 Screening compound: N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F172-0874
N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylpropanamide

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

F172-0874

Molecular Formula

C25H25N3O6S (C25 H25 N3 O6 S)

Compound Name

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

IUPAC name

N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methoxy)phenyl]-3-phenylpropanamide

SMILES

CCS(c(cc1)cc(NC(CCc2ccccc2)=O)c1OCC(N=C1N2OC(C)=C1)=CC2=O)(=O)=O

InChI

InChI=1S/C25H25N3O6S/c1-3-35(31,32)20-10-11-22(21(15-20)27-24(29)12-9-18-7-5-4-6-8-18)33-16-19-14-25(30)28-23(26-19)13-17(2)34-28/h4-8,10-11,13-15H,3,9,12,16H2,1-2H3,(H,27,29)

InChI Key

OSMQATKNVAVYAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.780

Water Solubility, LogSw

-2.63

Polar Surface Area

97.232

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

F172-0874 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F172-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F172-0874?
Check Price and Availability of F172-0874, 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 F172-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F172-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F172-0874
  • 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 F172-0874 available by request