V020-5685 Screening compound: 2-(4-allyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden)-N-cyclohexyl-N-methylacetamide

V020-5685 Screening compound: 2-(4-allyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden)-N-cyclohexyl-N-methylacetamide
V020-5685 Screening compound: 2-(4-allyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden)-N-cyclohexyl-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5685
2-(4-allyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden)-N-cyclohexyl-N-methylacetamide

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

V020-5685

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

2-(4-allyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden)-N-cyclohexyl-N-methylacetamide

IUPAC name

N-cyclohexyl-N-methyl-2-[(2E)-3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzothiazin-2-ylidene]acetamide

SMILES

CN(C1CCCCC1)C(/C=C1/Sc(cccc2)c2N(CC=C)C1=O)=O

InChI

InChI=1S/C20H24N2O2S/c1-3-13-22-16-11-7-8-12-17(16)25-18(20(22)24)14-19(23)21(2)15-9-5-4-6-10-15/h3,7-8,11-12,14-15H,1,4-6,9-10,13H2,2H3

InChI Key

BAJWMLRZDQTPPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

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

3.937

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-3.92

Polar Surface Area

30.266

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V020-5685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5685?
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What is the minimum amount of V020-5685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5685
  • 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 V020-5685 available by request