J026-2117 Screening compound: methyl 3-[(tert-butylcarbamoyl)methyl]-7-cyclopropyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-2117 Screening compound: methyl 3-[(tert-butylcarbamoyl)methyl]-7-cyclopropyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-2117 Screening compound: methyl 3-[(tert-butylcarbamoyl)methyl]-7-cyclopropyl-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 J026-2117
methyl 3-[(tert-butylcarbamoyl)methyl]-7-cyclopropyl-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

J026-2117

Molecular Formula

C24H26N4O5 (C24 H26 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(CN(C(c(c(N1c2ccccc2)nc(C2CC2)c2)c2C(OC)=O)=O)C1=O)=O

InChI

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

InChI Key

DJVYVKMXMDMPJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-3.90

Polar Surface Area

85.546

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

J026-2117 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 J026-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-2117?
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What is the minimum amount of J026-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-2117
  • 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 J026-2117 available by request