3333-3265 Screening compound: 4-(furan-2-yl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine

3333-3265 Screening compound: 4-(furan-2-yl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
3333-3265 Screening compound: 4-(furan-2-yl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-3265
4-(furan-2-yl)-2-(4-methylphenyl)-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

3333-3265

Molecular Formula

C20H17NOS (C20 H17 NOS)

Compound Name

4-(furan-2-yl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine

IUPAC name

4-(furan-2-yl)-2-(4-methylphenyl)-23-dihydro-15-benzothiazepine

SMILES

Cc1ccc(C(C2)Sc(cccc3)c3N=C2c2ccco2)cc1

InChI

InChI=1S/C20H17NOS/c1-14-8-10-15(11-9-14)20-13-17(18-6-4-12-22-18)21-16-5-2-3-7-19(16)23-20/h2-12,20H,13H2,1H3/t20-/m0/s1

InChI Key

CSJNSKKAVXQUEZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01831162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.029

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-4.71

Polar Surface Area

17.437

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

3333-3265 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Nervous system
Targets:
  • Kinases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3333-3265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-3265?
Check Price and Availability of 3333-3265, 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 3333-3265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-3265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-3265
  • 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 3333-3265 available by request