C724-0121 Screening compound: 3-[(4-fluorophenyl)methyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-pyrido[2,3-d]pyrimidin-4-one

C724-0121 Screening compound: 3-[(4-fluorophenyl)methyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-pyrido[2,3-d]pyrimidin-4-one
C724-0121 Screening compound: 3-[(4-fluorophenyl)methyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-pyrido[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C724-0121
3-[(4-fluorophenyl)methyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-pyrido[2,3-d]pyrimidin-4-one

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

C724-0121

Molecular Formula

C23H16FN5O2S (C23 H16 FN5 O2 S)

Compound Name

3-[(4-fluorophenyl)methyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-pyrido[2,3-d]pyrimidin-4-one

IUPAC name

3-[(4-fluorophenyl)methyl]-2-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-3H4H-pyrido[23-d]pyrimidin-4-one

SMILES

O=C1N(C=CC=C2)C2=NC(CSC(N2Cc(cc3)ccc3F)=Nc3ncccc3C2=O)=C1

InChI

InChI=1S/C23H16FN5O2S/c24-16-8-6-15(7-9-16)13-29-22(31)18-4-3-10-25-21(18)27-23(29)32-14-17-12-20(30)28-11-2-1-5-19(28)26-17/h1-12H,13-14H2

InChI Key

XWXPZENXAQWCLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.51

Polar Surface Area

61.381

Acid Dissociation Constant (pKa)

29.35

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C724-0121 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C724-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C724-0121?
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What is the minimum amount of C724-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C724-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C724-0121
  • 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 C724-0121 available by request