C122-0494 Screening compound: 4-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0494 Screening compound: 4-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0494 Screening compound: 4-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0494
4-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-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

C122-0494

Molecular Formula

C24H27ClN2O2S (C24 H27 ClN2 O2 S)

Compound Name

4-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc(cccc3)c3Cl)c1SCC2=O)NC1CCCCCCC1

InChI

InChI=1S/C24H27ClN2O2S/c25-20-11-7-6-8-18(20)15-27-21-14-17(12-13-22(21)30-16-23(27)28)24(29)26-19-9-4-2-1-3-5-10-19/h6-8,11-14,19H,1-5,9-10,15-16H2,(H,26,29)

InChI Key

FIIJOVZHJYLDDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.778

Distribution Coefficient, logD

5.778

Water Solubility, LogSw

-6.01

Polar Surface Area

40.089

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C122-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0494?
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What is the minimum amount of C122-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0494
  • 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 C122-0494 available by request