F880-0734 Screening compound: 2-(2-fluorophenoxy)-N-{2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}acetamide

F880-0734 Screening compound: 2-(2-fluorophenoxy)-N-{2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}acetamide
F880-0734 Screening compound: 2-(2-fluorophenoxy)-N-{2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F880-0734
2-(2-fluorophenoxy)-N-{2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}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

F880-0734

Molecular Formula

C23H18FN3O3S (C23 H18 FN3 O3 S)

Compound Name

2-(2-fluorophenoxy)-N-{2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}acetamide

IUPAC name

2-(2-fluorophenoxy)-N-{2-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]phenyl}acetamide

SMILES

O=C(COc(cccc1)c1F)Nc(cccc1)c1SCC(N=C1N2C=CC=C1)=CC2=O

InChI

InChI=1S/C23H18FN3O3S/c24-17-7-1-3-9-19(17)30-14-22(28)26-18-8-2-4-10-20(18)31-15-16-13-23(29)27-12-6-5-11-21(27)25-16/h1-13H,14-15H2,(H,26,28)

InChI Key

IZAZGQRXDJOHPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.113

Distribution Coefficient, logD

3.113

Water Solubility, LogSw

-3.38

Polar Surface Area

55.719

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F880-0734 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F880-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F880-0734?
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What is the minimum amount of F880-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F880-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F880-0734
  • 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 F880-0734 available by request