J097-0132 Screening compound: N~9~-{2-[(benzylamino)carbonyl]phenyl}-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0132 Screening compound: N~9~-{2-[(benzylamino)carbonyl]phenyl}-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0132 Screening compound: N~9~-{2-[(benzylamino)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 J097-0132
N~9~-{2-[(benzylamino)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

J097-0132

Molecular Formula

C28H23N3O4S (C28 H23 N3 O4 S)

Compound Name

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

IUPAC name

N-[2-(benzylcarbamoyl)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(NCc1ccccc1)=O)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C28H23N3O4S/c1-31-25-16-15-20(17-23(25)21-11-6-8-14-26(21)36(31,34)35)27(32)30-24-13-7-5-12-22(24)28(33)29-18-19-9-3-2-4-10-19/h2-17H,18H2,1H3,(H,29,33)(H,30,32)

InChI Key

JWGQBMNJJHGDPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.742

Water Solubility, LogSw

-4.49

Polar Surface Area

78.846

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

J097-0132 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with J097-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0132?
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What is the minimum amount of J097-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0132
  • 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 J097-0132 available by request