C312-1670 Screening compound: (2E)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

C312-1670 Screening compound: (2E)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one
C312-1670 Screening compound: (2E)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-1670
(2E)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

C312-1670

Molecular Formula

C27H21F3N2O2S (C27 H21 F3 N2 O2 S)

Compound Name

(2E)-4-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-4-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN(c(cccc1)c1S/C1=C/c2ccc(C(F)(F)F)cc2)C1=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C27H21F3N2O2S/c28-27(29,30)21-11-9-18(10-12-21)15-24-26(34)32(22-7-3-4-8-23(22)35-24)17-25(33)31-14-13-19-5-1-2-6-20(19)16-31/h1-12,15H,13-14,16-17H2

InChI Key

PZKYHDXXWNFILY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.809

Distribution Coefficient, logD

5.809

Water Solubility, LogSw

-6.01

Polar Surface Area

31.124

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C312-1670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-1670?
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What is the minimum amount of C312-1670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-1670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-1670
  • 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 C312-1670 available by request