C796-0306 Screening compound: N-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C796-0306 Screening compound: N-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C796-0306 Screening compound: N-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0306
N-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-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

C796-0306

Molecular Formula

C23H20F2N2OS (C23 H20 F2 N2 OS)

Compound Name

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

IUPAC name

N-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc2c1SCCN2Cc(cc1)ccc1F)NCc1cc(F)ccc1

InChI

InChI=1S/C23H20F2N2OS/c24-19-7-4-16(5-8-19)15-27-10-11-29-22-9-6-18(13-21(22)27)23(28)26-14-17-2-1-3-20(25)12-17/h1-9,12-13H,10-11,14-15H2,(H,26,28)

InChI Key

VUCQBGAOIXBIHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.45

Polar Surface Area

27.215

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C796-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0306?
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What is the minimum amount of C796-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0306
  • 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 C796-0306 available by request