F077-2118 Screening compound: N-[(E)-[(3-ethylphenyl)imino]({4-[(2-fluorophenyl)methyl]piperazin-1-yl})methyl]benzamide

F077-2118 Screening compound: N-[(E)-[(3-ethylphenyl)imino]({4-[(2-fluorophenyl)methyl]piperazin-1-yl})methyl]benzamide
F077-2118 Screening compound: N-[(E)-[(3-ethylphenyl)imino]({4-[(2-fluorophenyl)methyl]piperazin-1-yl})methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F077-2118
N-[(E)-[(3-ethylphenyl)imino]({4-[(2-fluorophenyl)methyl]piperazin-1-yl})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

F077-2118

Molecular Formula

C27H29FN4O (C27 H29 FN4 O)

Compound Name

N-[(E)-[(3-ethylphenyl)imino]({4-[(2-fluorophenyl)methyl]piperazin-1-yl})methyl]benzamide

IUPAC name

N-[(E)-[(3-ethylphenyl)imino]({4-[(2-fluorophenyl)methyl]piperazin-1-yl})methyl]benzamide

SMILES

CCc1cccc(/N=C(\NC(c2ccccc2)=O)/N2CCN(Cc(cccc3)c3F)CC2)c1

InChI

InChI=1S/C27H29FN4O/c1-2-21-9-8-13-24(19-21)29-27(30-26(33)22-10-4-3-5-11-22)32-17-15-31(16-18-32)20-23-12-6-7-14-25(23)28/h3-14,19H,2,15-18,20H2,1H3,(H,29,30,33)

InChI Key

YQEDIWVGYFHATI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.323

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-5.29

Polar Surface Area

37.683

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with F077-2118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F077-2118?
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What is the minimum amount of F077-2118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F077-2118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F077-2118
  • 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 F077-2118 available by request