C308-0617 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(1-phenylethyl)benzamide

C308-0617 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(1-phenylethyl)benzamide
C308-0617 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(1-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C308-0617
4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(1-phenylethyl)benzamide

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

C308-0617

Molecular Formula

C31H25FN2O2S (C31 H25 FN2 O2 S)

Compound Name

4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(1-phenylethyl)benzamide

IUPAC name

4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}-N-(1-phenylethyl)benzamide

SMILES

CC(c1ccccc1)NC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc(cc3)ccc3F)C2=O)cc1)=O

InChI

InChI=1S/C31H25FN2O2S/c1-21(24-7-3-2-4-8-24)33-30(35)25-15-11-22(12-16-25)19-29-31(36)34(20-23-13-17-26(32)18-14-23)27-9-5-6-10-28(27)37-29/h2-19,21H,20H2,1H3,(H,33,35)/t21-/m0/s1

InChI Key

YYYBJCYJAJIGIU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14747030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.62

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

6.430

Distribution Coefficient, logD

6.430

Water Solubility, LogSw

-5.73

Polar Surface Area

38.646

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.70

References: we are preparing a list of scientific research reports with C308-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C308-0617?
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What is the minimum amount of C308-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C308-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C308-0617
  • 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 C308-0617 available by request