8019-6527 Screening compound: N-[2-(adamantan-1-ylsulfanyl)ethyl]-3,5-dimethoxybenzamide

8019-6527 Screening compound: N-[2-(adamantan-1-ylsulfanyl)ethyl]-3,5-dimethoxybenzamide
8019-6527 Screening compound: N-[2-(adamantan-1-ylsulfanyl)ethyl]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6527
N-[2-(adamantan-1-ylsulfanyl)ethyl]-3,5-dimethoxybenzamide

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

8019-6527

Molecular Formula

C21H29NO3S (C21 H29 NO3 S)

Compound Name

N-[2-(adamantan-1-ylsulfanyl)ethyl]-3,5-dimethoxybenzamide

IUPAC name

N-[2-(adamantan-1-ylsulfanyl)ethyl]-35-dimethoxybenzamide

SMILES

COc1cc(C(NCCSC2(CC(C3)C4)CC4CC3C2)=O)cc(OC)c1

InChI

InChI=1S/C21H29NO3S/c1-24-18-8-17(9-19(10-18)25-2)20(23)22-3-4-26-21-11-14-5-15(12-21)7-16(6-14)13-21/h8-10,14-16H,3-7,11-13H2,1-2H3,(H,22,23)

InChI Key

MNHDBNAVLIBCDF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.31

Polar Surface Area

39.614

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

8019-6527 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-6527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6527?
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What is the minimum amount of 8019-6527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6527
  • 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 8019-6527 available by request