C122-0425 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0425 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0425 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0425
4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(2-phenylethyl)-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

C122-0425

Molecular Formula

C26H26N2O2S (C26 H26 N2 O2 S)

Compound Name

4-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-[(25-dimethylphenyl)methyl]-3-oxo-N-(2-phenylethyl)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc1cc(CN2c(cc(cc3)C(NCCc4ccccc4)=O)c3SCC2=O)c(C)cc1

InChI

InChI=1S/C26H26N2O2S/c1-18-8-9-19(2)22(14-18)16-28-23-15-21(10-11-24(23)31-17-25(28)29)26(30)27-13-12-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,27,30)

InChI Key

ZVNUCTBCRTXMCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.949

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-4.49

Polar Surface Area

39.874

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C122-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0425?
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What is the minimum amount of C122-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0425
  • 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 C122-0425 available by request