C699-0741 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0741 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0741 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0741
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-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

C699-0741

Molecular Formula

C26H27FN2O3S (C26 H27 FN2 O3 S)

Compound Name

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

IUPAC name

N-[2-(24-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

COc1cc(OC)c(CCNC(c(cc2)cc3c2SCCN3Cc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C26H27FN2O3S/c1-31-22-9-5-19(24(16-22)32-2)11-12-28-26(30)20-6-10-25-23(15-20)29(13-14-33-25)17-18-3-7-21(27)8-4-18/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,30)

InChI Key

IHDLZMYXOXZOSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

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

4.640

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.36

Polar Surface Area

42.230

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C699-0741 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C699-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0741?
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What is the minimum amount of C699-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0741
  • 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 C699-0741 available by request