K784-7890 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K784-7890 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K784-7890 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7890
N-[2-(4-chlorophenyl)ethyl]-3-oxo-4-(prop-2-en-1-yl)-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

K784-7890

Molecular Formula

C20H19ClN2O2S (C20 H19 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCN1c(cc(cc2)C(NCCc(cc3)ccc3Cl)=O)c2SCC1=O

InChI

InChI=1S/C20H19ClN2O2S/c1-2-11-23-17-12-15(5-8-18(17)26-13-19(23)24)20(25)22-10-9-14-3-6-16(21)7-4-14/h2-8,12H,1,9-11,13H2,(H,22,25)

InChI Key

LLOPXBQZDGELQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.98

Polar Surface Area

40.124

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K784-7890 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K784-7890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7890?
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What is the minimum amount of K784-7890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7890
  • 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 K784-7890 available by request