E628-0939 Screening compound: N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

E628-0939 Screening compound: N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
E628-0939 Screening compound: N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-0939
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

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

E628-0939

Molecular Formula

C16H13F3N2OS (C16 H13 F3 N2 OS)

Compound Name

N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

IUPAC name

N-[3-(trifluoromethyl)phenyl]-34-dihydro-2H-14-benzothiazine-4-carboxamide

SMILES

O=C(Nc1cc(C(F)(F)F)ccc1)N1c(cccc2)c2SCC1

InChI

InChI=1S/C16H13F3N2OS/c17-16(18,19)11-4-3-5-12(10-11)20-15(22)21-8-9-23-14-7-2-1-6-13(14)21/h1-7,10H,8-9H2,(H,20,22)

InChI Key

UTOITBDHLVCDJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00138799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.621

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.36

Polar Surface Area

24.372

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E628-0939 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E628-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-0939?
Check Price and Availability of E628-0939, 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 E628-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-0939
  • 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 E628-0939 available by request