K831-0100 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide

K831-0100 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide
K831-0100 Screening compound: N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K831-0100
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-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

K831-0100

Molecular Formula

C16H16N2O6S (C16 H16 N2 O6 S)

Compound Name

N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide

IUPAC name

N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-2-methyl-5-nitrobenzene-1-sulfonamide

SMILES

Cc(ccc([N+]([O-])=O)c1)c1S(NCC1Oc(cccc2)c2OC1)(=O)=O

InChI

InChI=1S/C16H16N2O6S/c1-11-6-7-12(18(19)20)8-16(11)25(21,22)17-9-13-10-23-14-4-2-3-5-15(14)24-13/h2-8,13,17H,9-10H2,1H3/t13-/m0/s1

InChI Key

MJQCEYJGVRZRMS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02939067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.45

Polar Surface Area

91.058

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

K831-0100 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 K831-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K831-0100?
Check Price and Availability of K831-0100, 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 K831-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K831-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K831-0100
  • 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 K831-0100 available by request