V030-8096 Screening compound: (2E)-2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

V030-8096 Screening compound: (2E)-2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
V030-8096 Screening compound: (2E)-2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-8096
(2E)-2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

V030-8096

Molecular Formula

C25H25F3N2O2S (C25 H25 F3 N2 O2 S)

Compound Name

(2E)-2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-2-[2-(azocan-1-yl)-2-oxoethylidene]-4-{[3-(trifluoromethyl)phenyl]methyl}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(/C=C1/Sc(cccc2)c2N(Cc2cc(C(F)(F)F)ccc2)C1=O)N1CCCCCCC1

InChI

InChI=1S/C25H25F3N2O2S/c26-25(27,28)19-10-8-9-18(15-19)17-30-20-11-4-5-12-21(20)33-22(24(30)32)16-23(31)29-13-6-2-1-3-7-14-29/h4-5,8-12,15-16H,1-3,6-7,13-14,17H2

InChI Key

FCWULHDXGXRJNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-6.02

Polar Surface Area

31.793

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V030-8096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-8096?
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What is the minimum amount of V030-8096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-8096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-8096
  • 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 V030-8096 available by request