C699-0019 Screening compound: 4-benzyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0019 Screening compound: 4-benzyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0019 Screening compound: 4-benzyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0019
4-benzyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

C699-0019

Molecular Formula

C22H21N3OS (C22 H21 N3 OS)

Compound Name

4-benzyl-N-(3-pyridylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-benzyl-N-[(pyridin-3-yl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc2c1SCCN2Cc1ccccc1)NCc1cnccc1

InChI

InChI=1S/C22H21N3OS/c26-22(24-15-18-7-4-10-23-14-18)19-8-9-21-20(13-19)25(11-12-27-21)16-17-5-2-1-3-6-17/h1-10,13-14H,11-12,15-16H2,(H,24,26)

InChI Key

VSSDSYPEVXBUNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

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

3.165

Distribution Coefficient, logD

3.165

Water Solubility, LogSw

-3.43

Polar Surface Area

36.732

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

C699-0019 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Targeted Diversity Library (40567 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 C699-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0019?
Check Price and Availability of C699-0019, 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 C699-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0019
  • 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 C699-0019 available by request