2188-1982 Screening compound: methyl 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

2188-1982 Screening compound: methyl 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
2188-1982 Screening compound: methyl 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1982
methyl 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-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

2188-1982

Molecular Formula

C17H18N2O5S (C17 H18 N2 O5 S)

Compound Name

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

IUPAC name

methyl 2-{[3-cyano-4-(34-dimethoxyphenyl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}acetate

SMILES

COC(CSC(NC(CC1c(cc2)cc(OC)c2OC)=O)=C1C#N)=O

InChI

InChI=1S/C17H18N2O5S/c1-22-13-5-4-10(6-14(13)23-2)11-7-15(20)19-17(12(11)8-18)25-9-16(21)24-3/h4-6,11H,7,9H2,1-3H3,(H,19,20)/t11-/m1/s1

InChI Key

MXKNDCIRPMZSFG-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01464619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.223

Distribution Coefficient, logD

1.167

Water Solubility, LogSw

-2.39

Polar Surface Area

77.027

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 2188-1982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1982?
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What is the minimum amount of 2188-1982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1982
  • 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 2188-1982 available by request