C200-9249 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium

C200-9249 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium
C200-9249 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9249
1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)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

C200-9249

Molecular Formula

C22H19N2O4 (C22 H19 N2 O4)

Compound Name

1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium

IUPAC name

1-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium

SMILES

O=C(C[n+](cc1)ccc1C(NCc1ccccc1)=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H18N2O4/c25-19(18-6-7-20-21(12-18)28-15-27-20)14-24-10-8-17(9-11-24)22(26)23-13-16-4-2-1-3-5-16/h1-12H,13-15H2/p+1

InChI Key

VURRDLKLMBCKON-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.46

Polar Surface Area

57.807

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C200-9249 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C200-9249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9249?
Check Price and Availability of C200-9249, 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 C200-9249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9249
  • 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 C200-9249 available by request