0987-0078 Screening compound: 3-benzamido-1-[2-(naphthalen-1-yl)-2-oxoethyl]pyridin-1-ium

0987-0078 Screening compound: 3-benzamido-1-[2-(naphthalen-1-yl)-2-oxoethyl]pyridin-1-ium
0987-0078 Screening compound: 3-benzamido-1-[2-(naphthalen-1-yl)-2-oxoethyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0987-0078
3-benzamido-1-[2-(naphthalen-1-yl)-2-oxoethyl]pyridin-1-ium

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

0987-0078

Molecular Formula

C24H19N2O2 (C24 H19 N2 O2)

Compound Name

3-benzamido-1-[2-(naphthalen-1-yl)-2-oxoethyl]pyridin-1-ium

IUPAC name

3-benzamido-1-[2-(naphthalen-1-yl)-2-oxoethyl]pyridin-1-ium

SMILES

O=C(C[n+]1cccc(NC(c2ccccc2)=O)c1)c1cccc2ccccc12

InChI

InChI=1S/C24H18N2O2/c27-23(22-14-6-11-18-8-4-5-13-21(18)22)17-26-15-7-12-20(16-26)25-24(28)19-9-2-1-3-10-19/h1-16H,17H2/p+1

InChI Key

YFKFJHGNRYDDBF-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00624559

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-4.13

Polar Surface Area

38.991

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

0987-0078 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0987-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0987-0078?
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What is the minimum amount of 0987-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0987-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0987-0078
  • 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 0987-0078 available by request