F041-0969 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide

F041-0969 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{5-ethoxy-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide
F041-0969 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-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 F041-0969
N-[2-chloro-5-(trifluoromethyl)phenyl]-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

F041-0969

Molecular Formula

C19H16ClF3N4O4 (C19 H16 ClF3 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccnc(N(C)C(N2CC(Nc(cc(C(F)(F)F)cc3)c3Cl)=O)=O)c1C2=O

InChI

InChI=1S/C19H16ClF3N4O4/c1-3-31-13-6-7-24-16-15(13)17(29)27(18(30)26(16)2)9-14(28)25-12-8-10(19(21,22)23)4-5-11(12)20/h4-8H,3,9H2,1-2H3,(H,25,28)

InChI Key

OQCHDEOWVIGCCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.81

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

3.148

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.77

Polar Surface Area

71.297

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F041-0969 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F041-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0969?
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What is the minimum amount of F041-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0969
  • 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 F041-0969 available by request