8006-7047 Screening compound: 4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine

8006-7047 Screening compound: 4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
8006-7047 Screening compound: 4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7047
4-(4-bromophenyl)-2-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

8006-7047

Molecular Formula

C21H16BrNS (C21 H16 BrNS)

Compound Name

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

IUPAC name

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

SMILES

Brc(cc1)ccc1C(C1)=Nc(cccc2)c2SC1c1ccccc1

InChI

InChI=1S/C21H16BrNS/c22-17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)24-20-9-5-4-8-18(20)23-19/h1-13,21H,14H2/t21-/m0/s1

InChI Key

DBUUTQFBKDPJHS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00208158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.344

Distribution Coefficient, logD

6.344

Water Solubility, LogSw

-6.34

Polar Surface Area

8.858

Acid Dissociation Constant (pKa)

23.15

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.52

8006-7047 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-7047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7047?
Check Price and Availability of 8006-7047, 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 8006-7047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7047
  • 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 8006-7047 available by request