8016-3036 Screening compound: 2-(1-adamantyl)-N~1~-dibenzo[b,d]furan-3-ylacetamide

8016-3036 Screening compound: 2-(1-adamantyl)-N~1~-dibenzo[b,d]furan-3-ylacetamide
8016-3036 Screening compound: 2-(1-adamantyl)-N~1~-dibenzo[b,d]furan-3-ylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3036
2-(1-adamantyl)-N~1~-dibenzo[b,d]furan-3-ylacetamide

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

8016-3036

Molecular Formula

C24H25NO2 (C24 H25 NO2)

Compound Name

2-(1-adamantyl)-N~1~-dibenzo[b,d]furan-3-ylacetamide

IUPAC name

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

SMILES

O=C(CC1(CC(C2)C3)CC3CC2C1)Nc(cc1)cc2c1c(cccc1)c1o2

InChI

InChI=1S/C24H25NO2/c26-23(14-24-11-15-7-16(12-24)9-17(8-15)13-24)25-18-5-6-20-19-3-1-2-4-21(19)27-22(20)10-18/h1-6,10,15-17H,7-9,11-14H2,(H,25,26)

InChI Key

YPQCOUJERJFTPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05795159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.749

Distribution Coefficient, logD

6.749

Water Solubility, LogSw

-6.40

Polar Surface Area

31.064

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

8016-3036 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 8016-3036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3036?
Check Price and Availability of 8016-3036, 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 8016-3036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3036
  • 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 8016-3036 available by request