2699-0190 Screening compound: propyl 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

2699-0190 Screening compound: propyl 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
2699-0190 Screening compound: propyl 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2699-0190
propyl 2-{[3-cyano-4-(4-methylphenyl)-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

2699-0190

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(CSC(NC(CC1c2ccc(C)cc2)=O)=C1C#N)=O

InChI

InChI=1S/C18H20N2O3S/c1-3-8-23-17(22)11-24-18-15(10-19)14(9-16(21)20-18)13-6-4-12(2)5-7-13/h4-7,14H,3,8-9,11H2,1-2H3,(H,20,21)/t14-/m1/s1

InChI Key

SRGRIAWHGUWYIQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01464780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

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

2.937

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.24

Polar Surface Area

61.640

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 2699-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2699-0190?
Check Price and Availability of 2699-0190, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2699-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2699-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2699-0190
  • 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 2699-0190 available by request