F041-0047 Screening compound: 2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

F041-0047 Screening compound: 2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
F041-0047 Screening compound: 2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F041-0047
2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[3-(trifluoromethyl)phenyl]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

F041-0047

Molecular Formula

C19H17F3N4O4 (C19 H17 F3 N4 O4)

Compound Name

2-{5-methoxy-1,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{5-methoxy-16-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc(cnc(N(C)C(N1CC(Nc2cccc(C(F)(F)F)c2)=O)=O)c2C1=O)c2OC

InChI

InChI=1S/C19H17F3N4O4/c1-10-8-23-16-14(15(10)30-3)17(28)26(18(29)25(16)2)9-13(27)24-12-6-4-5-11(7-12)19(20,21)22/h4-8H,9H2,1-3H3,(H,24,27)

InChI Key

VHSZIXORFSDIOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09239968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-3.22

Polar Surface Area

72.591

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F041-0047 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 F041-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F041-0047?
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What is the minimum amount of F041-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F041-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F041-0047
  • 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 F041-0047 available by request