F041-0052 Screening compound: ethyl 2-(2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate

F041-0052 Screening compound: ethyl 2-(2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate
F041-0052 Screening compound: ethyl 2-(2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F041-0052
ethyl 2-(2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate

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

F041-0052

Molecular Formula

C21H22N4O6 (C21 H22 N4 O6)

Compound Name

ethyl 2-(2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{5-methoxy-16-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C(c1c(N2C)ncc(C)c1OC)=O)C2=O)=O)=O

InChI

InChI=1S/C21H22N4O6/c1-5-31-20(28)13-8-6-7-9-14(13)23-15(26)11-25-19(27)16-17(30-4)12(2)10-22-18(16)24(3)21(25)29/h6-10H,5,11H2,1-4H3,(H,23,26)

InChI Key

MRGUGEWPFWUWNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.416

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-2.82

Polar Surface Area

92.647

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F041-0052 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F041-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0052?
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What is the minimum amount of F041-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0052
  • 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 F041-0052 available by request