K906-3929 Screening compound: 2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(3-methylpyridin-2-yl)acetamide

K906-3929 Screening compound: 2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(3-methylpyridin-2-yl)acetamide
K906-3929 Screening compound: 2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(3-methylpyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-3929
2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(3-methylpyridin-2-yl)acetamide

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

K906-3929

Molecular Formula

C17H17ClN4O5S (C17 H17 ClN4 O5 S)

Compound Name

2-(N-methyl6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamido)-N-(3-methylpyridin-2-yl)acetamide

IUPAC name

2-(N-methyl6-chloro-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamido)-N-(3-methylpyridin-2-yl)acetamide

SMILES

Cc1cccnc1NC(CN(C)S(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)=O

InChI

InChI=1S/C17H17ClN4O5S/c1-10-4-3-5-19-17(10)21-15(23)8-22(2)28(25,26)14-7-13-12(6-11(14)18)20-16(24)9-27-13/h3-7H,8-9H2,1-2H3,(H,20,24)(H,19,21,23)

InChI Key

BBZAUIFOPXKYET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.86

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.535

Distribution Coefficient, logD

1.476

Water Solubility, LogSw

-2.91

Polar Surface Area

98.910

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

K906-3929 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with K906-3929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-3929?
Check Price and Availability of K906-3929, 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 K906-3929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-3929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-3929
  • 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 K906-3929 available by request