F668-0558 Screening compound: 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-3,8-dipropyl-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

F668-0558 Screening compound: 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-3,8-dipropyl-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
F668-0558 Screening compound: 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-3,8-dipropyl-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound F668-0558
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-3,8-dipropyl-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

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

F668-0558

Molecular Formula

C25H30FN5O4 (C25 H30 FN5 O4)

Compound Name

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-3,8-dipropyl-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

IUPAC name

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-38-dipropyl-1H2H3H4H7H8H-pyrido[23-d]pyrimidine-247-trione

SMILES

CCCN(C(C=C1C(N(CC2)CCN2c(cc2)ccc2F)=O)=O)C(N(C)C(N2CCC)=O)=C1C2=O

InChI

InChI=1S/C25H30FN5O4/c1-4-10-30-20(32)16-19(21-22(30)27(3)25(35)31(11-5-2)24(21)34)23(33)29-14-12-28(13-15-29)18-8-6-17(26)7-9-18/h6-9,16H,4-5,10-15H2,1-3H3

InChI Key

LBRNVWPOUCNHLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.47

Polar Surface Area

67.938

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

F668-0558 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 F668-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F668-0558?
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What is the minimum amount of F668-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F668-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F668-0558
  • 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 F668-0558 available by request