F041-0717 Screening compound: 3-[(3,5-dimethoxyphenyl)methyl]-5-ethoxy-6-ethyl-1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

F041-0717 Screening compound: 3-[(3,5-dimethoxyphenyl)methyl]-5-ethoxy-6-ethyl-1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
F041-0717 Screening compound: 3-[(3,5-dimethoxyphenyl)methyl]-5-ethoxy-6-ethyl-1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F041-0717
3-[(3,5-dimethoxyphenyl)methyl]-5-ethoxy-6-ethyl-1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

F041-0717

Molecular Formula

C21H25N3O5 (C21 H25 N3 O5)

Compound Name

3-[(3,5-dimethoxyphenyl)methyl]-5-ethoxy-6-ethyl-1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

3-[(35-dimethoxyphenyl)methyl]-5-ethoxy-6-ethyl-1-methyl-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CCc(cnc(N(C)C(N1Cc2cc(OC)cc(OC)c2)=O)c2C1=O)c2OCC

InChI

InChI=1S/C21H25N3O5/c1-6-14-11-22-19-17(18(14)29-7-2)20(25)24(21(26)23(19)3)12-13-8-15(27-4)10-16(9-13)28-5/h8-11H,6-7,12H2,1-5H3

InChI Key

YIRDZIDTPCNBHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-4.10

Polar Surface Area

64.109

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F041-0717 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F041-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0717?
Check Price and Availability of F041-0717, 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 F041-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0717
  • 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 F041-0717 available by request