2188-1929 Screening compound: butyl 2-{[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

2188-1929 Screening compound: butyl 2-{[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
2188-1929 Screening compound: butyl 2-{[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1929
butyl 2-{[3-cyano-4-(2,4-dichlorophenyl)-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

2188-1929

Molecular Formula

C18H18Cl2N2O3S (C18 H18 Cl2 N2 O3 S)

Compound Name

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

IUPAC name

butyl 2-{[3-cyano-4-(24-dichlorophenyl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}acetate

SMILES

CCCCOC(CSC(NC(CC1c(ccc(Cl)c2)c2Cl)=O)=C1C#N)=O

InChI

InChI=1S/C18H18Cl2N2O3S/c1-2-3-6-25-17(24)10-26-18-14(9-21)13(8-16(23)22-18)12-5-4-11(19)7-15(12)20/h4-5,7,13H,2-3,6,8,10H2,1H3,(H,22,23)/t13-/m0/s1

InChI Key

WQJYYABRUGGTLF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01469771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.50

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

38.90

References: we are preparing a list of scientific research reports with 2188-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1929?
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What is the minimum amount of 2188-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1929
  • 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 2188-1929 available by request