8013-0936 Screening compound: 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzene-1-sulfonamide

8013-0936 Screening compound: 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzene-1-sulfonamide
8013-0936 Screening compound: 2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0936
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-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

8013-0936

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzene-1-sulfonamide

IUPAC name

2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzene-1-sulfonamide

SMILES

Cc1c(CCNS(c2c(C)ccc([N+]([O-])=O)c2)(=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C18H19N3O4S/c1-12-7-8-14(21(22)23)11-18(12)26(24,25)19-10-9-15-13(2)20-17-6-4-3-5-16(15)17/h3-8,11,19-20H,9-10H2,1-2H3

InChI Key

BUTTXGBFLRVHJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.27

Polar Surface Area

85.146

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8013-0936 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8013-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0936?
Check Price and Availability of 8013-0936, 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 8013-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0936
  • 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 8013-0936 available by request