8015-5177 Screening compound: 3-(2-furyl)-3-(4-methylphenyl)-1-propanamine

8015-5177 Screening compound: 3-(2-furyl)-3-(4-methylphenyl)-1-propanamine
8015-5177 Screening compound: 3-(2-furyl)-3-(4-methylphenyl)-1-propanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5177
3-(2-furyl)-3-(4-methylphenyl)-1-propanamine

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

8015-5177

Molecular Formula

C14H17NO (C14 H17 NO)

Compound Name

3-(2-furyl)-3-(4-methylphenyl)-1-propanamine

IUPAC name

3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine

SMILES

Cc1ccc(C(CCN)c2ccco2)cc1

InChI

InChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)13(8-9-15)14-3-2-10-16-14/h2-7,10,13H,8-9,15H2,1H3/t13-/m1/s1

InChI Key

PNKALXSRPWFOJZ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02991156

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

215.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.514

Distribution Coefficient, logD

0.300

Water Solubility, LogSw

-2.41

Polar Surface Area

29.701

Acid Dissociation Constant (pKa)

25.72

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

8015-5177 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS BBB Library (22607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-5177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5177?
Check Price and Availability of 8015-5177, 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 8015-5177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5177
  • 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 8015-5177 available by request