L933-0482 Screening compound: ethyl 4-{[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]methyl}cyclohexane-1-carboxylate

L933-0482 Screening compound: ethyl 4-{[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]methyl}cyclohexane-1-carboxylate
L933-0482 Screening compound: ethyl 4-{[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]methyl}cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L933-0482
ethyl 4-{[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]methyl}cyclohexane-1-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

L933-0482

Molecular Formula

C26H36N6O4 (C26 H36 N6 O4)

Compound Name

ethyl 4-{[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]methyl}cyclohexane-1-carboxylate

IUPAC name

ethyl 4-{[({1-[3-oxo-4-(prop-2-en-1-yl)-3H4H-pyrido[23-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]methyl}cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CNC(NC(CC2)CCN2C2=Nc3cccnc3N(CC=C)C2=O)=O)CC1)=O

InChI

InChI=1S/C26H36N6O4/c1-3-14-32-22-21(6-5-13-27-22)30-23(24(32)33)31-15-11-20(12-16-31)29-26(35)28-17-18-7-9-19(10-8-18)25(34)36-4-2/h3,5-6,13,18-20H,1,4,7-12,14-17H2,2H3,(H2,28,29,35)

InChI Key

SJANYGCSPLTRFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-2.93

Polar Surface Area

92.227

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

L933-0482 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L933-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L933-0482?
Check Price and Availability of L933-0482, 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 L933-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L933-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L933-0482
  • 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 L933-0482 available by request