F668-0287 Screening compound: ethyl 1-{3,8-diethyl-1-methyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carbonyl}piperidine-4-carboxylate

F668-0287 Screening compound: ethyl 1-{3,8-diethyl-1-methyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carbonyl}piperidine-4-carboxylate
F668-0287 Screening compound: ethyl 1-{3,8-diethyl-1-methyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F668-0287
ethyl 1-{3,8-diethyl-1-methyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carbonyl}piperidine-4-carboxylate

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

F668-0287

Molecular Formula

C21H28N4O6 (C21 H28 N4 O6)

Compound Name

ethyl 1-{3,8-diethyl-1-methyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{38-diethyl-1-methyl-247-trioxo-1H2H3H4H7H8H-pyrido[23-d]pyrimidine-5-carbonyl}piperidine-4-carboxylate

SMILES

CCN(C(C=C1C(N(CC2)CCC2C(OCC)=O)=O)=O)C(N(C)C(N2CC)=O)=C1C2=O

InChI

InChI=1S/C21H28N4O6/c1-5-24-15(26)12-14(16-17(24)22(4)21(30)25(6-2)19(16)28)18(27)23-10-8-13(9-11-23)20(29)31-7-3/h12-13H,5-11H2,1-4H3

InChI Key

PAYRLAFWSZUESC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.656

Distribution Coefficient, logD

0.656

Water Solubility, LogSw

-0.41

Polar Surface Area

84.924

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

F668-0287 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F668-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F668-0287?
Check Price and Availability of F668-0287, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F668-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F668-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F668-0287
  • 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 F668-0287 available by request