J097-0687 Screening compound: methyl 3-{[(6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-2-methylbenzoate

J097-0687 Screening compound: methyl 3-{[(6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-2-methylbenzoate
J097-0687 Screening compound: methyl 3-{[(6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J097-0687
methyl 3-{[(6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-2-methylbenzoate

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

J097-0687

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

methyl 3-{[(6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-2-methylbenzoate

IUPAC name

methyl 3-{911-dimethyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-amido}-2-methylbenzoate

SMILES

Cc1cc(C(Nc2c(C)c(C(OC)=O)ccc2)=O)cc(-c2c3cccc2)c1N(C)S3(=O)=O

InChI

InChI=1S/C24H22N2O5S/c1-14-12-16(23(27)25-20-10-7-9-17(15(20)2)24(28)31-4)13-19-18-8-5-6-11-21(18)32(29,30)26(3)22(14)19/h5-13H,1-4H3,(H,25,27)

InChI Key

HEBKBDODCVEZDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.961

Water Solubility, LogSw

-4.61

Polar Surface Area

76.763

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J097-0687 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J097-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0687?
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What is the minimum amount of J097-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0687
  • 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 J097-0687 available by request