C122-0263 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0263 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0263 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0263
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]-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

C122-0263

Molecular Formula

C24H19ClN2O4S (C24 H19 ClN2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[(4-chlorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(N2Cc(cc3)ccc3Cl)c1SCC2=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H19ClN2O4S/c25-18-5-1-15(2-6-18)12-27-19-10-17(4-8-22(19)32-13-23(27)28)24(29)26-11-16-3-7-20-21(9-16)31-14-30-20/h1-10H,11-14H2,(H,26,29)

InChI Key

XNINGXQCKDHVQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.477

Distribution Coefficient, logD

4.477

Water Solubility, LogSw

-4.68

Polar Surface Area

57.148

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C122-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0263?
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What is the minimum amount of C122-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0263
  • 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 C122-0263 available by request