K906-4301 Screening compound: N~7~-[3-(5-isoxazolyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

K906-4301 Screening compound: N~7~-[3-(5-isoxazolyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
K906-4301 Screening compound: N~7~-[3-(5-isoxazolyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4301
N~7~-[3-(5-isoxazolyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

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

K906-4301

Molecular Formula

C18H14N4O5S (C18 H14 N4 O5 S)

Compound Name

N~7~-[3-(5-isoxazolyl)phenyl]-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

IUPAC name

n/a

SMILES

O=C(C1)Nc(ccc(S(Nc2cc(-c3ccno3)ccc2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C18H14N4O5S/c23-17-10-18(24)21-15-9-13(4-5-14(15)20-17)28(25,26)22-12-3-1-2-11(8-12)16-6-7-19-27-16/h1-9,22H,10H2,(H,20,23)(H,21,24)

InChI Key

CEXVGSHEGWGZST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.709

Distribution Coefficient, logD

0.534

Water Solubility, LogSw

-2.45

Polar Surface Area

112.809

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

K906-4301 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K906-4301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4301?
Check Price and Availability of K906-4301, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K906-4301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4301
  • 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 K906-4301 available by request