5055-9557 Screening compound: N-(naphthalen-1-yl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide

5055-9557 Screening compound: N-(naphthalen-1-yl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
5055-9557 Screening compound: N-(naphthalen-1-yl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-9557
N-(naphthalen-1-yl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide

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

5055-9557

Molecular Formula

C21H15F3N2O2S (C21 H15 F3 N2 O2 S)

Compound Name

N-(naphthalen-1-yl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide

IUPAC name

N-(naphthalen-1-yl)-2-[3-oxo-6-(trifluoromethyl)-34-dihydro-2H-14-benzothiazin-2-yl]acetamide

SMILES

O=C(CC1Sc(ccc(C(F)(F)F)c2)c2NC1=O)Nc1cccc2ccccc12

InChI

InChI=1S/C21H15F3N2O2S/c22-21(23,24)13-8-9-17-16(10-13)26-20(28)18(29-17)11-19(27)25-15-7-3-5-12-4-1-2-6-14(12)15/h1-10,18H,11H2,(H,25,27)(H,26,28)/t18-/m0/s1

InChI Key

XGBMVYJBDBZEDC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02966158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-4.89

Polar Surface Area

47.024

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 5055-9557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-9557?
Check Price and Availability of 5055-9557, 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 5055-9557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-9557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-9557
  • 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 5055-9557 available by request