2188-0755 Screening compound: 2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide

2188-0755 Screening compound: 2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
2188-0755 Screening compound: 2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-0755
2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide

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

2188-0755

Molecular Formula

C20H16N4O4S (C20 H16 N4 O4 S)

Compound Name

2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide

SMILES

N#CC(C(CC(N1)=O)c(cccc2)c2[N+]([O-])=O)=C1SCC(Nc1ccccc1)=O

InChI

InChI=1S/C20H16N4O4S/c21-11-16-15(14-8-4-5-9-17(14)24(27)28)10-18(25)23-20(16)29-12-19(26)22-13-6-2-1-3-7-13/h1-9,15H,10,12H2,(H,22,26)(H,23,25)/t15-/m1/s1

InChI Key

OJKNQXGZULLCFE-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00335729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-3.15

Polar Surface Area

97.146

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 2188-0755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-0755?
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What is the minimum amount of 2188-0755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-0755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-0755
  • 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 2188-0755 available by request