F884-0045 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]acetamide

F884-0045 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]acetamide
F884-0045 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F884-0045
N-(3-chloro-4-methoxyphenyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]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

F884-0045

Molecular Formula

C18H16ClN3O3S (C18 H16 ClN3 O3 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]acetamide

SMILES

COc(ccc(NC(CSCC(N=C1N2C=CC=C1)=CC2=O)=O)c1)c1Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-25-15-6-5-12(8-14(15)19)21-17(23)11-26-10-13-9-18(24)22-7-3-2-4-16(22)20-13/h2-9H,10-11H2,1H3,(H,21,23)

InChI Key

GCYYMZMCKXMATB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.769

Distribution Coefficient, logD

2.769

Water Solubility, LogSw

-3.49

Polar Surface Area

56.733

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with F884-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F884-0045?
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What is the minimum amount of F884-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F884-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F884-0045
  • 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 F884-0045 available by request