C122-0515 Screening compound: 4-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C122-0515 Screening compound: 4-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C122-0515 Screening compound: 4-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C122-0515
4-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-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

C122-0515

Molecular Formula

C21H23ClN2O3S (C21 H23 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(c(cc1)cc(N2Cc(cccc3)c3Cl)c1SCC2=O)=O

InChI

InChI=1S/C21H23ClN2O3S/c1-2-27-11-5-10-23-21(26)15-8-9-19-18(12-15)24(20(25)14-28-19)13-16-6-3-4-7-17(16)22/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,23,26)

InChI Key

RABYQVHRMHUAEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.94

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

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.88

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

33.30

References: we are preparing a list of scientific research reports with C122-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C122-0515?
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What is the minimum amount of C122-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C122-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C122-0515
  • 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 C122-0515 available by request