L933-0493 Screening compound: methyl 4,5-dimethyl-2-[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]thiophene-3-carboxylate

L933-0493 Screening compound: methyl 4,5-dimethyl-2-[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]thiophene-3-carboxylate
L933-0493 Screening compound: methyl 4,5-dimethyl-2-[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L933-0493
methyl 4,5-dimethyl-2-[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]thiophene-3-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

L933-0493

Molecular Formula

C24H28N6O4S (C24 H28 N6 O4 S)

Compound Name

methyl 4,5-dimethyl-2-[({1-[3-oxo-4-(prop-2-en-1-yl)-3H,4H-pyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]thiophene-3-carboxylate

IUPAC name

methyl 45-dimethyl-2-[({1-[3-oxo-4-(prop-2-en-1-yl)-3H4H-pyrido[23-b]pyrazin-2-yl]piperidin-4-yl}carbamoyl)amino]thiophene-3-carboxylate

SMILES

Cc1c(C)sc(NC(NC(CC2)CCN2C(C(N2CC=C)=O)=Nc3c2nccc3)=O)c1C(OC)=O

InChI

InChI=1S/C24H28N6O4S/c1-5-11-30-19-17(7-6-10-25-19)27-20(22(30)31)29-12-8-16(9-13-29)26-24(33)28-21-18(23(32)34-4)14(2)15(3)35-21/h5-7,10,16H,1,8-9,11-13H2,2-4H3,(H2,26,28,33)

InChI Key

ZRBAUWSNDSEEOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.563

Distribution Coefficient, logD

1.847

Water Solubility, LogSw

-2.83

Polar Surface Area

90.927

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L933-0493 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)

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

References: we are preparing a list of scientific research reports with L933-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L933-0493?
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What is the minimum amount of L933-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L933-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L933-0493
  • 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 L933-0493 available by request