C122-0028 Screening compound: N-(3-ethoxypropyl)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0028 Screening compound: N-(3-ethoxypropyl)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0028 Screening compound: N-(3-ethoxypropyl)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0028
N-(3-ethoxypropyl)-4-[(2-methylphenyl)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

C122-0028

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(c(cc1)cc(N2Cc3c(C)cccc3)c1SCC2=O)=O

InChI

InChI=1S/C22H26N2O3S/c1-3-27-12-6-11-23-22(26)17-9-10-20-19(13-17)24(21(25)15-28-20)14-18-8-5-4-7-16(18)2/h4-5,7-10,13H,3,6,11-12,14-15H2,1-2H3,(H,23,26)

InChI Key

DAOYTBZOVUZRNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.80

Polar Surface Area

48.123

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C122-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0028?
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What is the minimum amount of C122-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0028
  • 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 C122-0028 available by request