J097-0305 Screening compound: methyl 3-{[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-4-methylbenzoate

J097-0305 Screening compound: methyl 3-{[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-4-methylbenzoate
J097-0305 Screening compound: methyl 3-{[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J097-0305
methyl 3-{[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-4-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

J097-0305

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

methyl 3-{[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazin-9-yl)carbonyl]amino}-4-methylbenzoate

IUPAC name

methyl 3-{9-ethyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-amido}-4-methylbenzoate

SMILES

CCN(c(ccc(C(Nc1c(C)ccc(C(OC)=O)c1)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C24H22N2O5S/c1-4-26-21-12-11-16(13-19(21)18-7-5-6-8-22(18)32(26,29)30)23(27)25-20-14-17(24(28)31-3)10-9-15(20)2/h5-14H,4H2,1-3H3,(H,25,27)

InChI Key

GXYXOGSYPAXQBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225005

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.24

Polar Surface Area

74.326

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J097-0305 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J097-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0305?
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What is the minimum amount of J097-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0305
  • 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 J097-0305 available by request