2188-1810 Screening compound: propyl 2-{[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

2188-1810 Screening compound: propyl 2-{[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
2188-1810 Screening compound: propyl 2-{[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1810
propyl 2-{[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

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

2188-1810

Molecular Formula

C17H17ClN2O3S (C17 H17 ClN2 O3 S)

Compound Name

propyl 2-{[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

IUPAC name

propyl 2-{[4-(2-chlorophenyl)-3-cyano-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}acetate

SMILES

CCCOC(CSC(NC(CC1c(cccc2)c2Cl)=O)=C1C#N)=O

InChI

InChI=1S/C17H17ClN2O3S/c1-2-7-23-16(22)10-24-17-13(9-19)12(8-15(21)20-17)11-5-3-4-6-14(11)18/h3-6,12H,2,7-8,10H2,1H3,(H,20,21)/t12-/m0/s1

InChI Key

HHPQZZGOQDPZOX-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01464767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.124

Water Solubility, LogSw

-3.53

Polar Surface Area

61.640

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

2188-1810 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2188-1810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1810?
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What is the minimum amount of 2188-1810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1810
  • 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 2188-1810 available by request