F172-0791 Screening compound: 3-cyclopentyl-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]propanamide

F172-0791 Screening compound: 3-cyclopentyl-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]propanamide
F172-0791 Screening compound: 3-cyclopentyl-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F172-0791
3-cyclopentyl-N-[5-(ethanesulfonyl)-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]propanamide

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

F172-0791

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCS(c(cc1)cc(NC(CCC2CCCC2)=O)c1OCC(N=C1N2OC(C)=C1)=CC2=O)(=O)=O

InChI

InChI=1S/C24H29N3O6S/c1-3-34(30,31)19-9-10-21(20(14-19)26-23(28)11-8-17-6-4-5-7-17)32-15-18-13-24(29)27-22(25-18)12-16(2)33-27/h9-10,12-14,17H,3-8,11,15H2,1-2H3,(H,26,28)

InChI Key

PWOMFMQBXYMAHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

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

1.887

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-2.75

Polar Surface Area

97.791

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

F172-0791 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Targeted Diversity Library (40567 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 F172-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F172-0791?
Check Price and Availability of F172-0791, 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 F172-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F172-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F172-0791
  • 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 F172-0791 available by request