8016-9717 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-1-adamantanesulfinamide

8016-9717 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-1-adamantanesulfinamide
8016-9717 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-1-adamantanesulfinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9717
N~1~-dibenzo[b,d]furan-3-yl-1-adamantanesulfinamide

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

8016-9717

Molecular Formula

C22H23NO2S (C22 H23 NO2 S)

Compound Name

N~1~-dibenzo[b,d]furan-3-yl-1-adamantanesulfinamide

IUPAC name

N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}adamantane-1-sulfinamide

SMILES

O=S(C1(CC(C2)C3)CC3CC2C1)Nc(cc1)cc2c1c(cccc1)c1o2

InChI

InChI=1S/C22H25NO2S/c24-26(22-11-14-7-15(12-22)9-16(8-14)13-22)23-17-5-6-19-18-3-1-2-4-20(18)25-21(19)10-17/h1-6,10,14-16H,7-9,11-13,26H2,(H,23,24)

InChI Key

BHWNNINICOZMBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.798

Distribution Coefficient, logD

6.798

Water Solubility, LogSw

-6.59

Polar Surface Area

36.661

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

8016-9717 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

STING Agonist Library (5895 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-9717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9717?
Check Price and Availability of 8016-9717, 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 8016-9717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9717
  • 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 8016-9717 available by request