2188-1789 Screening compound: propan-2-yl 2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

2188-1789 Screening compound: propan-2-yl 2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
2188-1789 Screening compound: propan-2-yl 2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1789
propan-2-yl 2-{[3-cyano-4-(4-ethoxyphenyl)-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

2188-1789

Molecular Formula

C19H22N2O4S (C19 H22 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(CC(N2)=O)C(C#N)=C2SCC(OC(C)C)=O)cc1

InChI

InChI=1S/C19H22N2O4S/c1-4-24-14-7-5-13(6-8-14)15-9-17(22)21-19(16(15)10-20)26-11-18(23)25-12(2)3/h5-8,12,15H,4,9,11H2,1-3H3,(H,21,22)/t15-/m1/s1

InChI Key

YAQUWGJPKLPVID-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01464556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.706

Water Solubility, LogSw

-3.19

Polar Surface Area

68.148

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 2188-1789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1789?
Check Price and Availability of 2188-1789, 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 2188-1789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1789
  • 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 2188-1789 available by request