C699-0516 Screening compound: 4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine

C699-0516 Screening compound: 4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine
C699-0516 Screening compound: 4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0516
4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine

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

C699-0516

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine

IUPAC name

4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-34-dihydro-2H-14-benzothiazine

SMILES

Cc1ccc(CN2c(cc(cc3)C(N4CCOCC4)=O)c3SCC2)cc1

InChI

InChI=1S/C21H24N2O2S/c1-16-2-4-17(5-3-16)15-23-10-13-26-20-7-6-18(14-19(20)23)21(24)22-8-11-25-12-9-22/h2-7,14H,8-13,15H2,1H3

InChI Key

CDGWZHCHGNCUMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.21

Polar Surface Area

27.358

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C699-0516 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C699-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0516?
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What is the minimum amount of C699-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0516
  • 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 C699-0516 available by request