C699-0503 Screening compound: 4-[(4-methylphenyl)methyl]-6-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine

C699-0503 Screening compound: 4-[(4-methylphenyl)methyl]-6-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine
C699-0503 Screening compound: 4-[(4-methylphenyl)methyl]-6-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0503
4-[(4-methylphenyl)methyl]-6-(4-phenylpiperazine-1-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

C699-0503

Molecular Formula

C27H29N3OS (C27 H29 N3 OS)

Compound Name

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

IUPAC name

4-[(4-methylphenyl)methyl]-6-(4-phenylpiperazine-1-carbonyl)-34-dihydro-2H-14-benzothiazine

SMILES

Cc1ccc(CN2c(cc(cc3)C(N(CC4)CCN4c4ccccc4)=O)c3SCC2)cc1

InChI

InChI=1S/C27H29N3OS/c1-21-7-9-22(10-8-21)20-30-17-18-32-26-12-11-23(19-25(26)30)27(31)29-15-13-28(14-16-29)24-5-3-2-4-6-24/h2-12,19H,13-18,20H2,1H3

InChI Key

ZVMLFQPTXLGTRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

4.783

Water Solubility, LogSw

-4.53

Polar Surface Area

22.710

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C699-0503 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C699-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0503?
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What is the minimum amount of C699-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0503
  • 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 C699-0503 available by request