F041-0682 Screening compound: 4-(2-{5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzamide

F041-0682 Screening compound: 4-(2-{5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzamide
F041-0682 Screening compound: 4-(2-{5-ethoxy-6-ethyl-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 F041-0682
4-(2-{5-ethoxy-6-ethyl-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

F041-0682

Molecular Formula

C21H23N5O5 (C21 H23 N5 O5)

Compound Name

4-(2-{5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzamide

IUPAC name

4-(2-{5-ethoxy-6-ethyl-1-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamido)benzamide

SMILES

CCc(cnc(N(C)C(N1CC(Nc(cc2)ccc2C(N)=O)=O)=O)c2C1=O)c2OCC

InChI

InChI=1S/C21H23N5O5/c1-4-12-10-23-19-16(17(12)31-5-2)20(29)26(21(30)25(19)3)11-15(27)24-14-8-6-13(7-9-14)18(22)28/h6-10H,4-5,11H2,1-3H3,(H2,22,28)(H,24,27)

InChI Key

PACYAFJWLNUYRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.661

Distribution Coefficient, logD

1.661

Water Solubility, LogSw

-2.40

Polar Surface Area

106.230

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F041-0682 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epigenetics Focused Set (26518 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 F041-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0682?
Check Price and Availability of F041-0682, 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 F041-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0682
  • 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 F041-0682 available by request