C699-0356 Screening compound: 4-[(4-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C699-0356 Screening compound: 4-[(4-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C699-0356 Screening compound: 4-[(4-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0356
4-[(4-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-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

C699-0356

Molecular Formula

C24H31N3O2S (C24 H31 N3 O2 S)

Compound Name

4-[(4-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-[(4-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc1ccc(CN2c(cc(cc3)C(NCCCN4CCOCC4)=O)c3SCC2)cc1

InChI

InChI=1S/C24H31N3O2S/c1-19-3-5-20(6-4-19)18-27-13-16-30-23-8-7-21(17-22(23)27)24(28)25-9-2-10-26-11-14-29-15-12-26/h3-8,17H,2,9-16,18H2,1H3,(H,25,28)

InChI Key

SXGPZFJKMHVTRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-3.36

Polar Surface Area

38.947

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C699-0356 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with C699-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0356?
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What is the minimum amount of C699-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0356
  • 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 C699-0356 available by request