F668-0969 Screening compound: N-(2,4-dimethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-bis(propan-2-yl)-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

F668-0969 Screening compound: N-(2,4-dimethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-bis(propan-2-yl)-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
F668-0969 Screening compound: N-(2,4-dimethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-bis(propan-2-yl)-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F668-0969
N-(2,4-dimethoxyphenyl)-1-methyl-2,4,7-trioxo-3,8-bis(propan-2-yl)-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

F668-0969

Molecular Formula

C23H28N4O6 (C23 H28 N4 O6)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-1-methyl-247-trioxo-38-bis(propan-2-yl)-1H2H3H4H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CC(C)N(C(C=C1C(Nc(ccc(OC)c2)c2OC)=O)=O)C(N(C)C(N2C(C)C)=O)=C1C2=O

InChI

InChI=1S/C23H28N4O6/c1-12(2)26-18(28)11-15(19-21(26)25(5)23(31)27(13(3)4)22(19)30)20(29)24-16-9-8-14(32-6)10-17(16)33-7/h8-13H,1-7H3,(H,24,29)

InChI Key

GRSHPJRBSHUSGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-3.08

Polar Surface Area

85.082

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F668-0969 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 F668-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F668-0969?
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What is the minimum amount of F668-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F668-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F668-0969
  • 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 F668-0969 available by request