F041-0916 Screening compound: 2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[(4-fluorophenyl)methyl]acetamide

F041-0916 Screening compound: 2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[(4-fluorophenyl)methyl]acetamide
F041-0916 Screening compound: 2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F041-0916
2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[(4-fluorophenyl)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

F041-0916

Molecular Formula

C19H19FN4O4 (C19 H19 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccnc(N(C)C(N2CC(NCc(cc3)ccc3F)=O)=O)c1C2=O

InChI

InChI=1S/C19H19FN4O4/c1-3-28-14-8-9-21-17-16(14)18(26)24(19(27)23(17)2)11-15(25)22-10-12-4-6-13(20)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,22,25)

InChI Key

YCOJDCCHMYABAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

1.530

Water Solubility, LogSw

-2.22

Polar Surface Area

73.317

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F041-0916 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F041-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0916?
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What is the minimum amount of F041-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0916
  • 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 F041-0916 available by request