3356-0075 Screening compound: 4-methyl-N-[3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butan-2-yl]benzene-1-sulfonamide

3356-0075 Screening compound: 4-methyl-N-[3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butan-2-yl]benzene-1-sulfonamide
3356-0075 Screening compound: 4-methyl-N-[3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butan-2-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3356-0075
4-methyl-N-[3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butan-2-yl]benzene-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

3356-0075

Molecular Formula

C22H36N2O7S (C22 H36 N2 O7 S)

Compound Name

4-methyl-N-[3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butan-2-yl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[3-methyl-1-oxo-1-(14710-tetraoxa-13-azacyclopentadecan-13-yl)butan-2-yl]benzene-1-sulfonamide

SMILES

CC(C)C(C(N1CCOCCOCCOCCOCC1)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H36N2O7S/c1-18(2)21(23-32(26,27)20-6-4-19(3)5-7-20)22(25)24-8-10-28-12-14-30-16-17-31-15-13-29-11-9-24/h4-7,18,21,23H,8-17H2,1-3H3/t21-/m0/s1

InChI Key

LXJUPBPZRAEDNZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00324281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.427

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-2.60

Polar Surface Area

90.447

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

3356-0075 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3356-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3356-0075?
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What is the minimum amount of 3356-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3356-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3356-0075
  • 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 3356-0075 available by request