C699-0593 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0593 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0593 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0593
N-[2-(3,4-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

C699-0593

Molecular Formula

C26H27FN2O3S (C26 H27 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(c(cc1)cc2c1SCCN2Cc(cc1)ccc1F)=O)c1)c1OC

InChI

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

InChI Key

MXTWMGHYLTZLQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784320

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

3.873

Distribution Coefficient, logD

3.873

Water Solubility, LogSw

-4.09

Polar Surface Area

42.317

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C699-0593 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C699-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0593?
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What is the minimum amount of C699-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0593
  • 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 C699-0593 available by request