C699-0093 Screening compound: 4-benzyl-N-(2-methoxyethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0093 Screening compound: 4-benzyl-N-(2-methoxyethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0093 Screening compound: 4-benzyl-N-(2-methoxyethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0093
4-benzyl-N-(2-methoxyethyl)-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

C699-0093

Molecular Formula

C19H22N2O2S (C19 H22 N2 O2 S)

Compound Name

4-benzyl-N-(2-methoxyethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-benzyl-N-(2-methoxyethyl)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

COCCNC(c(cc1)cc2c1SCCN2Cc1ccccc1)=O

InChI

InChI=1S/C19H22N2O2S/c1-23-11-9-20-19(22)16-7-8-18-17(13-16)21(10-12-24-18)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,22)

InChI Key

ZVFFELPICHJGKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.52

Polar Surface Area

35.670

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with C699-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0093?
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What is the minimum amount of C699-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0093
  • 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 C699-0093 available by request