J097-0656 Screening compound: N~9~-(4-bromo-3-methylphenyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0656 Screening compound: N~9~-(4-bromo-3-methylphenyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0656 Screening compound: N~9~-(4-bromo-3-methylphenyl)-6,7-dimethyl-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 J097-0656
N~9~-(4-bromo-3-methylphenyl)-6,7-dimethyl-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

J097-0656

Molecular Formula

C22H19BrN2O3S (C22 H19 BrN2 O3 S)

Compound Name

N~9~-(4-bromo-3-methylphenyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-911-dimethyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

Cc(cc(cc1)NC(c(cc2C)cc(-c3c4cccc3)c2N(C)S4(=O)=O)=O)c1Br

InChI

InChI=1S/C22H19BrN2O3S/c1-13-11-16(8-9-19(13)23)24-22(26)15-10-14(2)21-18(12-15)17-6-4-5-7-20(17)29(27,28)25(21)3/h4-12H,1-3H3,(H,24,26)

InChI Key

MMYHDVFEXYMVDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.948

Distribution Coefficient, logD

5.943

Water Solubility, LogSw

-5.49

Polar Surface Area

56.287

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with J097-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0656?
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What is the minimum amount of J097-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0656
  • 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 J097-0656 available by request