J097-0014 Screening compound: N~9~-(2-{[(2-furylmethyl)amino]carbonyl}phenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0014 Screening compound: N~9~-(2-{[(2-furylmethyl)amino]carbonyl}phenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0014 Screening compound: N~9~-(2-{[(2-furylmethyl)amino]carbonyl}phenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J097-0014
N~9~-(2-{[(2-furylmethyl)amino]carbonyl}phenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-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

J097-0014

Molecular Formula

C26H21N3O5S (C26 H21 N3 O5 S)

Compound Name

N~9~-(2-{[(2-furylmethyl)amino]carbonyl}phenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-(2-{[(furan-2-yl)methyl]carbamoyl}phenyl)-9-methyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

CN(c(ccc(C(Nc(cccc1)c1C(NCc1ccco1)=O)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C26H21N3O5S/c1-29-23-13-12-17(15-21(23)19-8-3-5-11-24(19)35(29,32)33)25(30)28-22-10-4-2-9-20(22)26(31)27-16-18-7-6-14-34-18/h2-15H,16H2,1H3,(H,27,31)(H,28,30)

InChI Key

CPRVKVIVGOFLGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

4.493

Water Solubility, LogSw

-4.28

Polar Surface Area

86.594

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

J097-0014 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J097-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0014?
Check Price and Availability of J097-0014, 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 J097-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0014
  • 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 J097-0014 available by request