C308-0047 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

C308-0047 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
C308-0047 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C308-0047
N-[2-(3,4-diethoxyphenyl)ethyl]-4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}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

C308-0047

Molecular Formula

C35H33FN2O4S (C35 H33 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)=O)c1)c1OCC

InChI

InChI=1S/C35H33FN2O4S/c1-3-41-30-18-15-25(21-31(30)42-4-2)19-20-37-34(39)26-16-13-24(14-17-26)22-33-35(40)38(23-27-9-5-6-10-28(27)36)29-11-7-8-12-32(29)43-33/h5-18,21-22H,3-4,19-20,23H2,1-2H3,(H,37,39)

InChI Key

CGTYXGIZCLDUAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

6.224

Water Solubility, LogSw

-5.50

Polar Surface Area

53.745

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C308-0047 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C308-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C308-0047?
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What is the minimum amount of C308-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C308-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C308-0047
  • 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 C308-0047 available by request