J026-4475 Screening compound: N,N-diethyl-3-{[(4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-4475 Screening compound: N,N-diethyl-3-{[(4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-4475 Screening compound: N,N-diethyl-3-{[(4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4475
N,N-diethyl-3-{[(4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-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

J026-4475

Molecular Formula

C22H24FN5O4 (C22 H24 FN5 O4)

Compound Name

N,N-diethyl-3-{[(4-fluorophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

NN-diethyl-3-{[(4-fluorophenyl)carbamoyl]methyl}-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCN(CC)C(c1cc(C)nc(N(C)C(N2CC(Nc(cc3)ccc3F)=O)=O)c1C2=O)=O

InChI

InChI=1S/C22H24FN5O4/c1-5-27(6-2)20(30)16-11-13(3)24-19-18(16)21(31)28(22(32)26(19)4)12-17(29)25-15-9-7-14(23)8-10-15/h7-11H,5-6,12H2,1-4H3,(H,25,29)

InChI Key

OORGQJMQSVILJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.173

Water Solubility, LogSw

-3.10

Polar Surface Area

80.091

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

J026-4475 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-4475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4475?
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What is the minimum amount of J026-4475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4475
  • 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 J026-4475 available by request