J026-3434 Screening compound: 3-[(2,1,3-benzoxadiazol-5-yl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-3434 Screening compound: 3-[(2,1,3-benzoxadiazol-5-yl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-3434 Screening compound: 3-[(2,1,3-benzoxadiazol-5-yl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3434
3-[(2,1,3-benzoxadiazol-5-yl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-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

J026-3434

Molecular Formula

C26H24N6O4 (C26 H24 N6 O4)

Compound Name

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

IUPAC name

3-[(213-benzoxadiazol-5-yl)methyl]-NN-diethyl-7-methyl-24-dioxo-1-phenyl-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCN(CC)C(c(cc(C)nc1N(c2ccccc2)C(N2Cc3cc4nonc4cc3)=O)c1C2=O)=O

InChI

InChI=1S/C26H24N6O4/c1-4-30(5-2)24(33)19-13-16(3)27-23-22(19)25(34)31(26(35)32(23)18-9-7-6-8-10-18)15-17-11-12-20-21(14-17)29-36-28-20/h6-14H,4-5,15H2,1-3H3

InChI Key

QBLBEMMJBWBMSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.05

Polar Surface Area

91.612

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J026-3434 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-3434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3434?
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What is the minimum amount of J026-3434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3434
  • 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 J026-3434 available by request