V031-3746 Screening compound: 2-[4-(3-methoxybenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden]-N~1~-methyl-N~1~-propylacetamide

V031-3746 Screening compound: 2-[4-(3-methoxybenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden]-N~1~-methyl-N~1~-propylacetamide
V031-3746 Screening compound: 2-[4-(3-methoxybenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden]-N~1~-methyl-N~1~-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3746
2-[4-(3-methoxybenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden]-N~1~-methyl-N~1~-propylacetamide

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

V031-3746

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

2-[4-(3-methoxybenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yliden]-N~1~-methyl-N~1~-propylacetamide

IUPAC name

2-[(2E)-4-[(3-methoxyphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]-N-methyl-N-propylacetamide

SMILES

CCCN(C)C(/C=C1/Sc(cccc2)c2N(Cc2cc(OC)ccc2)C1=O)=O

InChI

InChI=1S/C22H24N2O3S/c1-4-12-23(2)21(25)14-20-22(26)24(18-10-5-6-11-19(18)28-20)15-16-8-7-9-17(13-16)27-3/h5-11,13-14H,4,12,15H2,1-3H3

InChI Key

MPBDCYGDMKPRHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.225

Water Solubility, LogSw

-4.28

Polar Surface Area

38.758

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with V031-3746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3746?
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What is the minimum amount of V031-3746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3746
  • 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 V031-3746 available by request