8011-7377 Screening compound: methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate

8011-7377 Screening compound: methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
8011-7377 Screening compound: methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7377
methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2,3,4-tetrahydropyridine-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

8011-7377

Molecular Formula

C19H15ClN4O4S2 (C19 H15 ClN4 O4 S2)

Compound Name

methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate

IUPAC name

methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1234-tetrahydropyridine-3-carboxylate

SMILES

COC(C(C(c(cc1)ccc1Cl)C(C#N)=C(N1)SCC(Nc2nccs2)=O)C1=O)=O

InChI

InChI=1S/C19H15ClN4O4S2/c1-28-18(27)15-14(10-2-4-11(20)5-3-10)12(8-21)17(24-16(15)26)30-9-13(25)23-19-22-6-7-29-19/h2-7,14-15H,9H2,1H3,(H,24,26)(H,22,23,25)

InChI Key

YPPMUCIDLSBERH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.437

Water Solubility, LogSw

-3.46

Polar Surface Area

95.774

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

8011-7377 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-7377 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8011-7377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7377
  • 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 8011-7377 available by request