K783-5439 Screening compound: 2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetic acid

K783-5439 Screening compound: 2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetic acid
K783-5439 Screening compound: 2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5439
2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetic acid

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

K783-5439

Molecular Formula

C17H12BrNO3S (C17 H12 BrNO3 S)

Compound Name

2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetic acid

IUPAC name

2-[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetic acid

SMILES

OC(CN(c(cccc1)c1S/C1=C\c2cccc(Br)c2)C1=O)=O

InChI

InChI=1S/C17H12BrNO3S/c18-12-5-3-4-11(8-12)9-15-17(22)19(10-16(20)21)13-6-1-2-7-14(13)23-15/h1-9H,10H2,(H,20,21)

InChI Key

KFZUJMWWGPDYFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

-0.761

Water Solubility, LogSw

-3.57

Polar Surface Area

43.725

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K783-5439 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K783-5439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5439?
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What is the minimum amount of K783-5439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5439
  • 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 K783-5439 available by request