J026-4401 Screening compound: N,N-diethyl-1,7-dimethyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-4401 Screening compound: N,N-diethyl-1,7-dimethyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-4401 Screening compound: N,N-diethyl-1,7-dimethyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4401
N,N-diethyl-1,7-dimethyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-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

J026-4401

Molecular Formula

C25H27N5O4 (C25 H27 N5 O4)

Compound Name

N,N-diethyl-1,7-dimethyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

NN-diethyl-17-dimethyl-3-[(5-methyl-2-phenyl-13-oxazol-4-yl)methyl]-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCN(CC)C(c1cc(C)nc(N(C)C(N2Cc3c(C)oc(-c4ccccc4)n3)=O)c1C2=O)=O

InChI

InChI=1S/C25H27N5O4/c1-6-29(7-2)23(31)18-13-15(3)26-21-20(18)24(32)30(25(33)28(21)5)14-19-16(4)34-22(27-19)17-11-9-8-10-12-17/h8-13H,6-7,14H2,1-5H3

InChI Key

NWRRBWJEDQAUKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.25

Polar Surface Area

75.063

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

J026-4401 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)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 J026-4401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4401?
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What is the minimum amount of J026-4401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4401
  • 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 J026-4401 available by request