K784-7897 Screening compound: 3-oxo-4-(prop-2-en-1-yl)-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K784-7897 Screening compound: 3-oxo-4-(prop-2-en-1-yl)-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K784-7897 Screening compound: 3-oxo-4-(prop-2-en-1-yl)-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7897
3-oxo-4-(prop-2-en-1-yl)-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-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

K784-7897

Molecular Formula

C17H16N2O2S2 (C17 H16 N2 O2 S2)

Compound Name

3-oxo-4-(prop-2-en-1-yl)-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

3-oxo-4-(prop-2-en-1-yl)-N-[(thiophen-2-yl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

C=CCN1c(cc(cc2)C(NCc3cccs3)=O)c2SCC1=O

InChI

InChI=1S/C17H16N2O2S2/c1-2-7-19-14-9-12(5-6-15(14)23-11-16(19)20)17(21)18-10-13-4-3-8-22-13/h2-6,8-9H,1,7,10-11H2,(H,18,21)

InChI Key

ROQFKCUBXGUCIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-3.33

Polar Surface Area

41.301

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K784-7897 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-7897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7897?
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What is the minimum amount of K784-7897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7897
  • 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 K784-7897 available by request