2189-1392 Screening compound: prop-2-yn-1-yl 4-(morpholine-4-sulfonyl)benzoate

2189-1392 Screening compound: prop-2-yn-1-yl 4-(morpholine-4-sulfonyl)benzoate
2189-1392 Screening compound: prop-2-yn-1-yl 4-(morpholine-4-sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1392
prop-2-yn-1-yl 4-(morpholine-4-sulfonyl)benzoate

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

2189-1392

Molecular Formula

C14H15NO5S (C14 H15 NO5 S)

Compound Name

prop-2-yn-1-yl 4-(morpholine-4-sulfonyl)benzoate

IUPAC name

prop-2-yn-1-yl 4-(morpholine-4-sulfonyl)benzoate

SMILES

C#CCOC(c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O

InChI

InChI=1S/C14H15NO5S/c1-2-9-20-14(16)12-3-5-13(6-4-12)21(17,18)15-7-10-19-11-8-15/h1,3-6H,7-11H2

InChI Key

WHYVCTQNYROYDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.638

Distribution Coefficient, logD

1.638

Water Solubility, LogSw

-2.48

Polar Surface Area

60.906

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

2189-1392 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with 2189-1392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1392?
Check Price and Availability of 2189-1392, 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 2189-1392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1392
  • 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 2189-1392 available by request