C699-0049 Screening compound: 4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0049 Screening compound: 4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0049 Screening compound: 4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0049
4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-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

C699-0049

Molecular Formula

C26H28N2O3S (C26 H28 N2 O3 S)

Compound Name

4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-benzyl-N-[2-(34-dimethoxyphenyl)ethyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

COc(ccc(CCNC(c(cc1)cc2c1SCCN2Cc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C26H28N2O3S/c1-30-23-10-8-19(16-24(23)31-2)12-13-27-26(29)21-9-11-25-22(17-21)28(14-15-32-25)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,29)

InChI Key

QXNADJZYGXNBGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-4.04

Polar Surface Area

42.317

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C699-0049 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C699-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0049?
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What is the minimum amount of C699-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0049
  • 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 C699-0049 available by request