8018-5955 Screening compound: 4-methoxy-2-methyl-5-(propan-2-yl)-N-(pyridin-3-yl)benzene-1-sulfonamide

8018-5955 Screening compound: 4-methoxy-2-methyl-5-(propan-2-yl)-N-(pyridin-3-yl)benzene-1-sulfonamide
8018-5955 Screening compound: 4-methoxy-2-methyl-5-(propan-2-yl)-N-(pyridin-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5955
4-methoxy-2-methyl-5-(propan-2-yl)-N-(pyridin-3-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

8018-5955

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

4-methoxy-2-methyl-5-(propan-2-yl)-N-(pyridin-3-yl)benzene-1-sulfonamide

IUPAC name

4-methoxy-2-methyl-5-(propan-2-yl)-N-(pyridin-3-yl)benzene-1-sulfonamide

SMILES

CC(C)c1cc(S(Nc2cnccc2)(=O)=O)c(C)cc1OC

InChI

InChI=1S/C16H20N2O3S/c1-11(2)14-9-16(12(3)8-15(14)21-4)22(19,20)18-13-6-5-7-17-10-13/h5-11,18H,1-4H3

InChI Key

SAPHTZNKDCKISJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.22

Polar Surface Area

58.036

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8018-5955 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-5955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5955?
Check Price and Availability of 8018-5955, 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 8018-5955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5955
  • 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 8018-5955 available by request