J097-0170 Screening compound: N~9~-{2-[(butylamino)carbonyl]phenyl}-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0170 Screening compound: N~9~-{2-[(butylamino)carbonyl]phenyl}-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0170 Screening compound: N~9~-{2-[(butylamino)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 J097-0170
N~9~-{2-[(butylamino)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

J097-0170

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(c(cccc1)c1NC(c(cc1)cc(-c2c3cccc2)c1N(C)S3(=O)=O)=O)=O

InChI

InChI=1S/C25H25N3O4S/c1-3-4-15-26-25(30)19-10-5-7-11-21(19)27-24(29)17-13-14-22-20(16-17)18-9-6-8-12-23(18)33(31,32)28(22)2/h5-14,16H,3-4,15H2,1-2H3,(H,26,30)(H,27,29)

InChI Key

CTVKTBWCAYVOCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.27

Polar Surface Area

78.959

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J097-0170 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J097-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0170?
Check Price and Availability of J097-0170, 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 J097-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0170
  • 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 J097-0170 available by request