C699-0809 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine

C699-0809 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine
C699-0809 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C699-0809
4-[(4-fluorophenyl)methyl]-6-(piperidine-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

C699-0809

Molecular Formula

C21H23FN2OS (C21 H23 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1SCCN2Cc(cc1)ccc1F)N1CCCCC1

InChI

InChI=1S/C21H23FN2OS/c22-18-7-4-16(5-8-18)15-24-12-13-26-20-9-6-17(14-19(20)24)21(25)23-10-2-1-3-11-23/h4-9,14H,1-3,10-13,15H2

InChI Key

JKZFGDKOTZTOIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.753

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.02

Polar Surface Area

19.450

Acid Dissociation Constant (pKa)

26.33

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C699-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C699-0809?
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What is the minimum amount of C699-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C699-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C699-0809
  • 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 C699-0809 available by request