C700-0413 Screening compound: 4-[(4-chlorophenyl)methyl]-N-[2-(2,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C700-0413 Screening compound: 4-[(4-chlorophenyl)methyl]-N-[2-(2,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C700-0413 Screening compound: 4-[(4-chlorophenyl)methyl]-N-[2-(2,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0413
4-[(4-chlorophenyl)methyl]-N-[2-(2,4-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

C700-0413

Molecular Formula

C26H27ClN2O3S (C26 H27 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(OC)c(CCNC(c(cc2)cc3c2SCCN3Cc(cc2)ccc2Cl)=O)cc1

InChI

InChI=1S/C26H27ClN2O3S/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

UGQOAWYUNAEMTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.03

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

5.205

Distribution Coefficient, logD

5.205

Water Solubility, LogSw

-5.81

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

C700-0413 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C700-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0413?
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What is the minimum amount of C700-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0413
  • 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 C700-0413 available by request