K906-4364 Screening compound: N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

K906-4364 Screening compound: N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
K906-4364 Screening compound: N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4364
N-(2-methyl-3-nitrophenyl)-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

K906-4364

Molecular Formula

C16H14N4O6S (C16 H14 N4 O6 S)

Compound Name

N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide

IUPAC name

N-(2-methyl-3-nitrophenyl)-24-dioxo-2345-tetrahydro-1H-15-benzodiazepine-7-sulfonamide

SMILES

Cc(c([N+]([O-])=O)ccc1)c1NS(c(cc1)cc(NC(C2)=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C16H14N4O6S/c1-9-11(3-2-4-14(9)20(23)24)19-27(25,26)10-5-6-12-13(7-10)18-16(22)8-15(21)17-12/h2-7,19H,8H2,1H3,(H,17,21)(H,18,22)

InChI Key

FLAZUDOVQOONRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.750

Distribution Coefficient, logD

-0.074

Water Solubility, LogSw

-2.54

Polar Surface Area

123.323

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K906-4364 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K906-4364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4364?
Check Price and Availability of K906-4364, 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 K906-4364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4364
  • 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 K906-4364 available by request