F108-1085 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-ethoxybenzamide

F108-1085 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-ethoxybenzamide
F108-1085 Screening compound: N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F108-1085
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-ethoxybenzamide

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

F108-1085

Molecular Formula

C26H27NO5 (C26 H27 NO5)

Compound Name

N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-ethoxybenzamide

IUPAC name

N-[1-(2H-13-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-ethoxybenzamide

SMILES

CCOc(cccc1)c1C(NC(Cc(cc1)ccc1OC)Cc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C26H27NO5/c1-3-30-23-7-5-4-6-22(23)26(28)27-20(14-18-8-11-21(29-2)12-9-18)15-19-10-13-24-25(16-19)32-17-31-24/h4-13,16,20H,3,14-15,17H2,1-2H3,(H,27,28)/t20-/m0/s1

InChI Key

MCAYWYSTSSXYBW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14941403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

5.538

Water Solubility, LogSw

-5.55

Polar Surface Area

56.158

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

F108-1085 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F108-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F108-1085?
Check Price and Availability of F108-1085, 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 F108-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F108-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F108-1085
  • 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 F108-1085 available by request