8016-5717 Screening compound: 2-(adamantan-1-yl)-N-{3-[(dimethylsulfamoyl)amino]phenyl}acetamide

8016-5717 Screening compound: 2-(adamantan-1-yl)-N-{3-[(dimethylsulfamoyl)amino]phenyl}acetamide
8016-5717 Screening compound: 2-(adamantan-1-yl)-N-{3-[(dimethylsulfamoyl)amino]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5717
2-(adamantan-1-yl)-N-{3-[(dimethylsulfamoyl)amino]phenyl}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

8016-5717

Molecular Formula

C20H29N3O3S (C20 H29 N3 O3 S)

Compound Name

2-(adamantan-1-yl)-N-{3-[(dimethylsulfamoyl)amino]phenyl}acetamide

IUPAC name

2-(adamantan-1-yl)-N-{3-[(dimethylsulfamoyl)amino]phenyl}acetamide

SMILES

CN(C)S(Nc1cc(NC(CC2(CC(C3)C4)CC4CC3C2)=O)ccc1)(=O)=O

InChI

InChI=1S/C20H29N3O3S/c1-23(2)27(25,26)22-18-5-3-4-17(9-18)21-19(24)13-20-10-14-6-15(11-20)8-16(7-14)12-20/h3-5,9,14-16,22H,6-8,10-13H2,1-2H3,(H,21,24)

InChI Key

WDTMXRIRVCHNPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.878

Water Solubility, LogSw

-4.04

Polar Surface Area

68.491

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

8016-5717 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 8016-5717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5717?
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What is the minimum amount of 8016-5717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5717
  • 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 8016-5717 available by request