F971-0646 Screening compound: 4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]benzamide

F971-0646 Screening compound: 4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]benzamide
F971-0646 Screening compound: 4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F971-0646
4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]benzamide

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

F971-0646

Molecular Formula

C25H25N3O2 (C25 H25 N3 O2)

Compound Name

4-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]benzamide

IUPAC name

4-[2-(1H-13-benzodiazol-2-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]benzamide

SMILES

CCOc1c(CNC(c2ccc(CCc3nc(cccc4)c4[nH]3)cc2)=O)cccc1

InChI

InChI=1S/C25H25N3O2/c1-2-30-23-10-6-3-7-20(23)17-26-25(29)19-14-11-18(12-15-19)13-16-24-27-21-8-4-5-9-22(21)28-24/h3-12,14-15H,2,13,16-17H2,1H3,(H,26,29)(H,27,28)

InChI Key

KHNMPSYGSJAVFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-4.93

Polar Surface Area

51.872

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F971-0646 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with F971-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F971-0646?
Check Price and Availability of F971-0646, 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 F971-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F971-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F971-0646
  • 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 F971-0646 available by request