2187-0780 Screening compound: 2-[(2-oxo-2-phenylethyl)sulfanyl]nicotinic acid

2187-0780 Screening compound: 2-[(2-oxo-2-phenylethyl)sulfanyl]nicotinic acid
2187-0780 Screening compound: 2-[(2-oxo-2-phenylethyl)sulfanyl]nicotinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-0780
2-[(2-oxo-2-phenylethyl)sulfanyl]nicotinic acid

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

2187-0780

Molecular Formula

C14H11NO3S (C14 H11 NO3 S)

Compound Name

2-[(2-oxo-2-phenylethyl)sulfanyl]nicotinic acid

IUPAC name

n/a

SMILES

OC(c1cccnc1SCC(c1ccccc1)=O)=O

InChI

InChI=1S/C14H11NO3S/c16-12(10-5-2-1-3-6-10)9-19-13-11(14(17)18)7-4-8-15-13/h1-8H,9H2,(H,17,18)

InChI Key

MJHMABNIGSEYKN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.302

Distribution Coefficient, logD

0.204

Water Solubility, LogSw

-2.66

Polar Surface Area

50.801

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

References: we are preparing a list of scientific research reports with 2187-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-0780?
Check Price and Availability of 2187-0780, 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 2187-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-0780
  • 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 2187-0780 available by request