C306-0008 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

C306-0008 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide
C306-0008 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C306-0008
N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

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

C306-0008

Molecular Formula

C25H20ClFN2O2S (C25 H20 ClFN2 O2 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

O=C(/C=C1\Sc(cccc2)c2N(Cc(cc2)ccc2F)C1=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C25H20ClFN2O2S/c26-19-9-5-17(6-10-19)13-14-28-24(30)15-23-25(31)29(16-18-7-11-20(27)12-8-18)21-3-1-2-4-22(21)32-23/h1-12,15H,13-14,16H2,(H,28,30)

InChI Key

LGBVUMXGTOBDNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

5.256

Water Solubility, LogSw

-5.74

Polar Surface Area

39.383

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C306-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C306-0008?
Check Price and Availability of C306-0008, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C306-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C306-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C306-0008
  • 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 C306-0008 available by request