J026-2228 Screening compound: methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-2228 Screening compound: methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-2228 Screening compound: methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-2228
methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxo-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

J026-2228

Molecular Formula

C25H28N4O6 (C25 H28 N4 O6)

Compound Name

methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-methoxyphenyl)-7-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc(nc1N(c(cccc2)c2OC)C(N2CC(N3CCCCCC3)=O)=O)cc(C(OC)=O)c1C2=O

InChI

InChI=1S/C25H28N4O6/c1-16-14-17(24(32)35-3)21-22(26-16)29(18-10-6-7-11-19(18)34-2)25(33)28(23(21)31)15-20(30)27-12-8-4-5-9-13-27/h6-7,10-11,14H,4-5,8-9,12-13,15H2,1-3H3

InChI Key

RWLSMOTVYBWTMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.19

Polar Surface Area

85.587

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with J026-2228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-2228?
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What is the minimum amount of J026-2228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-2228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-2228
  • 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 J026-2228 available by request