K906-2901 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

K906-2901 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide
K906-2901 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2901
2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}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

K906-2901

Molecular Formula

C24H30N4O5S (C24 H30 N4 O5 S)

Compound Name

2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

IUPAC name

2-[6-(azepane-1-sulfonyl)-2-oxo-23-dihydro-13-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

SMILES

CN(C)c1ccc(CNC(CN(c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2O2)C2=O)=O)cc1

InChI

InChI=1S/C24H30N4O5S/c1-26(2)19-9-7-18(8-10-19)16-25-23(29)17-28-21-12-11-20(15-22(21)33-24(28)30)34(31,32)27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,25,29)

InChI Key

UHODNQKTCNXGTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.61

Polar Surface Area

82.385

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K906-2901 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K906-2901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2901?
Check Price and Availability of K906-2901, 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 K906-2901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2901
  • 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 K906-2901 available by request