F041-0440 Screening compound: 4-(2-{5-methoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzamide

F041-0440 Screening compound: 4-(2-{5-methoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzamide
F041-0440 Screening compound: 4-(2-{5-methoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F041-0440
4-(2-{5-methoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzamide

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

F041-0440

Molecular Formula

C18H17N5O5 (C18 H17 N5 O5)

Compound Name

4-(2-{5-methoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzamide

IUPAC name

4-(2-{5-methoxy-1-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamido)benzamide

SMILES

CN(c(nccc1OC)c1C(N1CC(Nc(cc2)ccc2C(N)=O)=O)=O)C1=O

InChI

InChI=1S/C18H17N5O5/c1-22-16-14(12(28-2)7-8-20-16)17(26)23(18(22)27)9-13(24)21-11-5-3-10(4-6-11)15(19)25/h3-8H,9H2,1-2H3,(H2,19,25)(H,21,24)

InChI Key

WRVHAHNAELZCFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.041

Distribution Coefficient, logD

-0.041

Water Solubility, LogSw

-1.80

Polar Surface Area

106.474

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F041-0440 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F041-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0440?
Check Price and Availability of F041-0440, 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 F041-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0440
  • 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 F041-0440 available by request