F668-0801 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,8-trimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

F668-0801 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,8-trimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
F668-0801 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,8-trimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F668-0801
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,8-trimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

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

F668-0801

Molecular Formula

C19H18N4O6 (C19 H18 N4 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,8-trimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-138-trimethyl-247-trioxo-1H2H3H4H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CN(C(C=C1C(NCc(cc2)cc3c2OCO3)=O)=O)C(N(C)C(N2C)=O)=C1C2=O

InChI

InChI=1S/C19H18N4O6/c1-21-14(24)7-11(15-17(21)22(2)19(27)23(3)18(15)26)16(25)20-8-10-4-5-12-13(6-10)29-9-28-12/h4-7H,8-9H2,1-3H3,(H,20,25)

InChI Key

SWPTVJJYGMXRNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.437

Distribution Coefficient, logD

0.437

Water Solubility, LogSw

-2.07

Polar Surface Area

89.133

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F668-0801 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F668-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F668-0801?
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What is the minimum amount of F668-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F668-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F668-0801
  • 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 F668-0801 available by request