J026-1937 Screening compound: methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-1937 Screening compound: methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-1937 Screening compound: methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-7-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 J026-1937
methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-7-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

J026-1937

Molecular Formula

C24H26N4O5 (C24 H26 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(nc1N(c2ccccc2)C(N2CC(N3CCCCCC3)=O)=O)cc(C(OC)=O)c1C2=O

InChI

InChI=1S/C24H26N4O5/c1-16-14-18(23(31)33-2)20-21(25-16)28(17-10-6-5-7-11-17)24(32)27(22(20)30)15-19(29)26-12-8-3-4-9-13-26/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3

InChI Key

KNMKATLZWQKKHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.771

Distribution Coefficient, logD

2.771

Water Solubility, LogSw

-3.14

Polar Surface Area

78.258

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

J026-1937 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J026-1937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-1937?
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What is the minimum amount of J026-1937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-1937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-1937
  • 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 J026-1937 available by request