5867-3854 Screening compound: 2-[(4-methylquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

5867-3854 Screening compound: 2-[(4-methylquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
5867-3854 Screening compound: 2-[(4-methylquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-3854
2-[(4-methylquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

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

5867-3854

Molecular Formula

C18H17N3O3S2 (C18 H17 N3 O3 S2)

Compound Name

2-[(4-methylquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

IUPAC name

2-[(4-methylquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

SMILES

Cc1cc(SCC(Nc(cc2)ccc2S(N)(=O)=O)=O)nc2ccccc12

InChI

InChI=1S/C18H17N3O3S2/c1-12-10-18(21-16-5-3-2-4-15(12)16)25-11-17(22)20-13-6-8-14(9-7-13)26(19,23)24/h2-10H,11H2,1H3,(H,20,22)(H2,19,23,24)

InChI Key

ZKHJORBCRDGCKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.35

Polar Surface Area

81.411

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5867-3854 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5867-3854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-3854?
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What is the minimum amount of 5867-3854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-3854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-3854
  • 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 5867-3854 available by request