4100-2280 Screening compound: 4-methyl-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4100-2280 Screening compound: 4-methyl-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
4100-2280 Screening compound: 4-methyl-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-2280
4-methyl-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

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

4100-2280

Molecular Formula

C16H17N3O5S (C16 H17 N3 O5 S)

Compound Name

4-methyl-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

IUPAC name

4-methyl-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

SMILES

Cc(ccc(C(NCCc(cc1)ccc1S(N)(=O)=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C16H17N3O5S/c1-11-2-5-13(10-15(11)19(21)22)16(20)18-9-8-12-3-6-14(7-4-12)25(17,23)24/h2-7,10H,8-9H2,1H3,(H,18,20)(H2,17,23,24)

InChI Key

LYMFMAVNXIVZBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02861744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.329

Distribution Coefficient, logD

1.328

Water Solubility, LogSw

-2.41

Polar Surface Area

108.177

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4100-2280 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

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 4100-2280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-2280?
Check Price and Availability of 4100-2280, 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 4100-2280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-2280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-2280
  • 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 4100-2280 available by request