F041-0917 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide

F041-0917 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide
F041-0917 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F041-0917
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-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

F041-0917

Molecular Formula

C20H20N4O6 (C20 H20 N4 O6)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{5-ethoxy-1-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamide

SMILES

CCOc1ccnc(N(C)C(N2CC(NCc(cc3)cc4c3OCO4)=O)=O)c1C2=O

InChI

InChI=1S/C20H20N4O6/c1-3-28-14-6-7-21-18-17(14)19(26)24(20(27)23(18)2)10-16(25)22-9-12-4-5-13-15(8-12)30-11-29-13/h4-8H,3,9-11H2,1-2H3,(H,22,25)

InChI Key

RQSNSAAAJKNNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.414

Distribution Coefficient, logD

1.414

Water Solubility, LogSw

-2.31

Polar Surface Area

90.432

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F041-0917 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F041-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0917?
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What is the minimum amount of F041-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0917
  • 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 F041-0917 available by request