J026-3302 Screening compound: 3-benzyl-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

J026-3302 Screening compound: 3-benzyl-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
J026-3302 Screening compound: 3-benzyl-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3302
3-benzyl-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

J026-3302

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

3-benzyl-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

3-benzyl-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc(nc1N(c(cccc2)c2OC)C(N2Cc3ccccc3)=O)cc(C(N3CCCC3)=O)c1C2=O

InChI

InChI=1S/C27H26N4O4/c1-18-16-20(25(32)29-14-8-9-15-29)23-24(28-18)31(21-12-6-7-13-22(21)35-2)27(34)30(26(23)33)17-19-10-4-3-5-11-19/h3-7,10-13,16H,8-9,14-15,17H2,1-2H3

InChI Key

DGXGMNISDCCWLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.07

Polar Surface Area

64.704

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

J026-3302 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3302?
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What is the minimum amount of J026-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3302
  • 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 J026-3302 available by request