J026-3545 Screening compound: 4-methoxy-3-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzaldehyde

J026-3545 Screening compound: 4-methoxy-3-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzaldehyde
J026-3545 Screening compound: 4-methoxy-3-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3545
4-methoxy-3-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzaldehyde

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

J026-3545

Molecular Formula

C19H19N3O4 (C19 H19 N3 O4)

Compound Name

4-methoxy-3-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzaldehyde

IUPAC name

4-methoxy-3-({157-trimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}methyl)benzaldehyde

SMILES

Cc1cc(C)nc(N(C)C(N2Cc(cc(C=O)cc3)c3OC)=O)c1C2=O

InChI

InChI=1S/C19H19N3O4/c1-11-7-12(2)20-17-16(11)18(24)22(19(25)21(17)3)9-14-8-13(10-23)5-6-15(14)26-4/h5-8,10H,9H2,1-4H3

InChI Key

JAOAGSBHNWRKDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.67

Polar Surface Area

62.799

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J026-3545 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with J026-3545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3545?
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What is the minimum amount of J026-3545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3545
  • 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 J026-3545 available by request