F511-0047 Screening compound: 4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[(4-methylphenyl)methyl]butanamide

F511-0047 Screening compound: 4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[(4-methylphenyl)methyl]butanamide
F511-0047 Screening compound: 4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F511-0047
4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[(4-methylphenyl)methyl]butanamide

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

F511-0047

Molecular Formula

C20H24N2OS (C20 H24 N2 OS)

Compound Name

4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[(4-methylphenyl)methyl]butanamide

IUPAC name

4-(34-dihydro-2H-14-benzothiazin-4-yl)-N-[(4-methylphenyl)methyl]butanamide

SMILES

Cc1ccc(CNC(CCCN2c(cccc3)c3SCC2)=O)cc1

InChI

InChI=1S/C20H24N2OS/c1-16-8-10-17(11-9-16)15-21-20(23)7-4-12-22-13-14-24-19-6-3-2-5-18(19)22/h2-3,5-6,8-11H,4,7,12-15H2,1H3,(H,21,23)

InChI Key

BGSANZBMNLKJEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.51

Polar Surface Area

27.251

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

F511-0047 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with F511-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F511-0047?
Check Price and Availability of F511-0047, 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 F511-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F511-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F511-0047
  • 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 F511-0047 available by request