F041-0681 Screening compound: 2-{5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]acetamide

F041-0681 Screening compound: 2-{5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]acetamide
F041-0681 Screening compound: 2-{5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F041-0681
2-{5-ethoxy-6-ethyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]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

F041-0681

Molecular Formula

C22H26N4O4 (C22 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc(cnc(N(C)C(N1CC(NCc2ccc(C)cc2)=O)=O)c2C1=O)c2OCC

InChI

InChI=1S/C22H26N4O4/c1-5-16-12-24-20-18(19(16)30-6-2)21(28)26(22(29)25(20)4)13-17(27)23-11-15-9-7-14(3)8-10-15/h7-10,12H,5-6,11,13H2,1-4H3,(H,23,27)

InChI Key

JGJYJWVAJGWHQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.03

Polar Surface Area

73.493

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F041-0681 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F041-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0681?
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What is the minimum amount of F041-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0681
  • 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 F041-0681 available by request