F668-0381 Screening compound: N-(2-chloro-4-methylphenyl)-3,8-diethyl-1-methyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

F668-0381 Screening compound: N-(2-chloro-4-methylphenyl)-3,8-diethyl-1-methyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide
F668-0381 Screening compound: N-(2-chloro-4-methylphenyl)-3,8-diethyl-1-methyl-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 F668-0381
N-(2-chloro-4-methylphenyl)-3,8-diethyl-1-methyl-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

F668-0381

Molecular Formula

C20H21ClN4O4 (C20 H21 ClN4 O4)

Compound Name

N-(2-chloro-4-methylphenyl)-3,8-diethyl-1-methyl-2,4,7-trioxo-1H,2H,3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-(2-chloro-4-methylphenyl)-38-diethyl-1-methyl-247-trioxo-1H2H3H4H7H8H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCN(C(C=C1C(Nc(ccc(C)c2)c2Cl)=O)=O)C(N(C)C(N2CC)=O)=C1C2=O

InChI

InChI=1S/C20H21ClN4O4/c1-5-24-15(26)10-12(17(27)22-14-8-7-11(3)9-13(14)21)16-18(24)23(4)20(29)25(6-2)19(16)28/h7-10H,5-6H2,1-4H3,(H,22,27)

InChI Key

SCLZIEJWGRFBMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-3.29

Polar Surface Area

69.916

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F668-0381 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 F668-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F668-0381?
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What is the minimum amount of F668-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F668-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F668-0381
  • 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 F668-0381 available by request