K906-2891 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

K906-2891 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
K906-2891 Screening compound: 2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2891
2-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-[(4-methoxyphenyl)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

K906-2891

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(CN(c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2O2)C2=O)=O)cc1

InChI

InChI=1S/C23H27N3O6S/c1-31-18-8-6-17(7-9-18)15-24-22(27)16-26-20-11-10-19(14-21(20)32-23(26)28)33(29,30)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,24,27)

InChI Key

VXXDJCMVLYYKTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.68

Polar Surface Area

87.124

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K906-2891 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K906-2891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2891?
Check Price and Availability of K906-2891, 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 K906-2891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2891
  • 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 K906-2891 available by request