J026-2090 Screening compound: methyl 7-cyclopropyl-3-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-2090 Screening compound: methyl 7-cyclopropyl-3-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-2090 Screening compound: methyl 7-cyclopropyl-3-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-2090
methyl 7-cyclopropyl-3-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

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

J026-2090

Molecular Formula

C27H23N3O6 (C27 H23 N3 O6)

Compound Name

methyl 7-cyclopropyl-3-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 7-cyclopropyl-3-[(5-formyl-2-methoxyphenyl)methyl]-24-dioxo-1-phenyl-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

COC(c(cc(C1CC1)nc1N(c2ccccc2)C(N2Cc(cc(C=O)cc3)c3OC)=O)c1C2=O)=O

InChI

InChI=1S/C27H23N3O6/c1-35-22-11-8-16(15-31)12-18(22)14-29-25(32)23-20(26(33)36-2)13-21(17-9-10-17)28-24(23)30(27(29)34)19-6-4-3-5-7-19/h3-8,11-13,15,17H,9-10,14H2,1-2H3

InChI Key

KRKCVDKMHCRQGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.49

Polar Surface Area

83.769

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J026-2090 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J026-2090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-2090?
Check Price and Availability of J026-2090, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J026-2090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-2090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-2090
  • 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 J026-2090 available by request