3343-3698 Screening compound: N-(2-methylindolizine-3-carbothioyl)benzamide

3343-3698 Screening compound: N-(2-methylindolizine-3-carbothioyl)benzamide
3343-3698 Screening compound: N-(2-methylindolizine-3-carbothioyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-3698
N-(2-methylindolizine-3-carbothioyl)benzamide

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

3343-3698

Molecular Formula

C17H14N2OS (C17 H14 N2 OS)

Compound Name

N-(2-methylindolizine-3-carbothioyl)benzamide

IUPAC name

N-(2-methylindolizine-3-carbothioyl)benzamide

SMILES

Cc1c(C(NC(c2ccccc2)=O)=S)n(cccc2)c2c1

InChI

InChI=1S/C17H14N2OS/c1-12-11-14-9-5-6-10-19(14)15(12)17(21)18-16(20)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20,21)

InChI Key

BHOBISIBABIPEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.551

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.83

Polar Surface Area

22.581

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3343-3698 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3343-3698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-3698?
Check Price and Availability of 3343-3698, 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 3343-3698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-3698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-3698
  • 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 3343-3698 available by request