3333-3312 Screening compound: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

3333-3312 Screening compound: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
3333-3312 Screening compound: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-3312
2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

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

3333-3312

Molecular Formula

C22H19NOS (C22 H19 NOS)

Compound Name

2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

IUPAC name

2-(4-methoxyphenyl)-4-phenyl-23-dihydro-15-benzothiazepine

SMILES

COc1ccc(C(C2)Sc(cccc3)c3N=C2c2ccccc2)cc1

InChI

InChI=1S/C22H19NOS/c1-24-18-13-11-17(12-14-18)22-15-20(16-7-3-2-4-8-16)23-19-9-5-6-10-21(19)25-22/h2-14,22H,15H2,1H3/t22-/m0/s1

InChI Key

ZVDODLRPJFDLAT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00126142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.64

Polar Surface Area

16.402

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

3333-3312 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3333-3312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-3312?
Check Price and Availability of 3333-3312, 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 3333-3312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-3312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-3312
  • 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 3333-3312 available by request