C733-0112 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide

C733-0112 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide
C733-0112 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C733-0112
N-(5-chloro-2-methoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}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

C733-0112

Molecular Formula

C23H18ClFN4O4 (C23 H18 ClFN4 O4)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-1-yl}acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CN(c1ncccc1C(N1Cc(cc2)ccc2F)=O)C1=O)=O

InChI

InChI=1S/C23H18ClFN4O4/c1-33-19-9-6-15(24)11-18(19)27-20(30)13-28-21-17(3-2-10-26-21)22(31)29(23(28)32)12-14-4-7-16(25)8-5-14/h2-11H,12-13H2,1H3,(H,27,30)

InChI Key

GASRGPXDUGUMSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-4.19

Polar Surface Area

71.680

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C733-0112 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C733-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C733-0112?
Check Price and Availability of C733-0112, 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 C733-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C733-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C733-0112
  • 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 C733-0112 available by request