8019-3976 Screening compound: 5-(adamantan-1-yl)-N-(3-fluoro-2-methylphenyl)-2-methylfuran-3-carboxamide

8019-3976 Screening compound: 5-(adamantan-1-yl)-N-(3-fluoro-2-methylphenyl)-2-methylfuran-3-carboxamide
8019-3976 Screening compound: 5-(adamantan-1-yl)-N-(3-fluoro-2-methylphenyl)-2-methylfuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3976
5-(adamantan-1-yl)-N-(3-fluoro-2-methylphenyl)-2-methylfuran-3-carboxamide

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

8019-3976

Molecular Formula

C23H26FNO2 (C23 H26 FNO2)

Compound Name

5-(adamantan-1-yl)-N-(3-fluoro-2-methylphenyl)-2-methylfuran-3-carboxamide

IUPAC name

5-(adamantan-1-yl)-N-(3-fluoro-2-methylphenyl)-2-methylfuran-3-carboxamide

SMILES

Cc(oc(C1(CC(C2)C3)CC3CC2C1)c1)c1C(Nc1cccc(F)c1C)=O

InChI

InChI=1S/C23H26FNO2/c1-13-19(24)4-3-5-20(13)25-22(26)18-9-21(27-14(18)2)23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,9,15-17H,6-8,10-12H2,1-2H3,(H,25,26)

InChI Key

AWPCPDUFXKTLFA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.46

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

6.186

Distribution Coefficient, logD

6.184

Water Solubility, LogSw

-5.57

Polar Surface Area

30.719

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

8019-3976 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-3976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3976?
Check Price and Availability of 8019-3976, 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 8019-3976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3976
  • 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 8019-3976 available by request