8019-0521 Screening compound: 5-(1-adamantyl)-N~3~-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-2-methyl-3-furamide

8019-0521 Screening compound: 5-(1-adamantyl)-N~3~-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-2-methyl-3-furamide
8019-0521 Screening compound: 5-(1-adamantyl)-N~3~-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-2-methyl-3-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0521
5-(1-adamantyl)-N~3~-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-2-methyl-3-furamide

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

8019-0521

Molecular Formula

C31H33NO3 (C31 H33 NO3)

Compound Name

5-(1-adamantyl)-N~3~-(2-dibenzo[b,d]furan-2-yl-1-methylethyl)-2-methyl-3-furamide

IUPAC name

5-(adamantan-1-yl)-2-methyl-N-(1-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaen-4-yl}propan-2-yl)furan-3-carboxamide

SMILES

CC(Cc(cc1)cc2c1oc1c2cccc1)NC(c1c(C)oc(C2(CC(C3)C4)CC4CC3C2)c1)=O

InChI

InChI=1S/C31H33NO3/c1-18(9-20-7-8-28-26(13-20)24-5-3-4-6-27(24)35-28)32-30(33)25-14-29(34-19(25)2)31-15-21-10-22(16-31)12-23(11-21)17-31/h3-8,13-14,18,21-23H,9-12,15-17H2,1-2H3,(H,32,33)/t18-,21?,22?,23?,31?/m0/s1

InChI Key

QSUXDGKKSGXZLU-KSOWIWRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.313

Distribution Coefficient, logD

8.313

Water Solubility, LogSw

-6.03

Polar Surface Area

40.095

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.20

8019-0521 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0521?
Check Price and Availability of 8019-0521, 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 8019-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0521
  • 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 8019-0521 available by request