F668-0318 Screening compound: 3,8-diethyl-1-methyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

F668-0318 Screening compound: 3,8-diethyl-1-methyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
F668-0318 Screening compound: 3,8-diethyl-1-methyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound F668-0318
3,8-diethyl-1-methyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-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

F668-0318

Molecular Formula

C22H26N6O4 (C22 H26 N6 O4)

Compound Name

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

IUPAC name

38-diethyl-1-methyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H2H3H4H7H8H-pyrido[23-d]pyrimidine-247-trione

SMILES

CCN(C(C=C1C(N(CC2)CCN2c2ncccc2)=O)=O)C(N(C)C(N2CC)=O)=C1C2=O

InChI

InChI=1S/C22H26N6O4/c1-4-27-17(29)14-15(18-19(27)24(3)22(32)28(5-2)21(18)31)20(30)26-12-10-25(11-13-26)16-8-6-7-9-23-16/h6-9,14H,4-5,10-13H2,1-3H3

InChI Key

VWFZPLIZSUOZBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.047

Distribution Coefficient, logD

1.038

Water Solubility, LogSw

-1.78

Polar Surface Area

75.942

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F668-0318 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F668-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F668-0318?
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What is the minimum amount of F668-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F668-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F668-0318
  • 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 F668-0318 available by request