C796-0308 Screening compound: N-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C796-0308 Screening compound: N-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C796-0308 Screening compound: N-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0308
N-[(4-ethoxyphenyl)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

C796-0308

Molecular Formula

C25H25FN2O2S (C25 H25 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CNC(c(cc2)cc3c2SCCN3Cc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C25H25FN2O2S/c1-2-30-22-10-5-18(6-11-22)16-27-25(29)20-7-12-24-23(15-20)28(13-14-31-24)17-19-3-8-21(26)9-4-19/h3-12,15H,2,13-14,16-17H2,1H3,(H,27,29)

InChI Key

RZRNYWXIHJNPKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-4.51

Polar Surface Area

34.338

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C796-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0308?
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What is the minimum amount of C796-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0308
  • 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 C796-0308 available by request