F077-2288 Screening compound: N-[(Z)-(4-cyclohexylpiperazin-1-yl)[(4-ethoxyphenyl)imino]methyl]-3-fluoro-4-methylbenzamide

F077-2288 Screening compound: N-[(Z)-(4-cyclohexylpiperazin-1-yl)[(4-ethoxyphenyl)imino]methyl]-3-fluoro-4-methylbenzamide
F077-2288 Screening compound: N-[(Z)-(4-cyclohexylpiperazin-1-yl)[(4-ethoxyphenyl)imino]methyl]-3-fluoro-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F077-2288
N-[(Z)-(4-cyclohexylpiperazin-1-yl)[(4-ethoxyphenyl)imino]methyl]-3-fluoro-4-methylbenzamide

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

F077-2288

Molecular Formula

C27H35FN4O2 (C27 H35 FN4 O2)

Compound Name

N-[(Z)-(4-cyclohexylpiperazin-1-yl)[(4-ethoxyphenyl)imino]methyl]-3-fluoro-4-methylbenzamide

IUPAC name

N-[(Z)-(4-cyclohexylpiperazin-1-yl)[(4-ethoxyphenyl)imino]methyl]-3-fluoro-4-methylbenzamide

SMILES

CCOc(cc1)ccc1/N=C(/NC(c1cc(F)c(C)cc1)=O)\N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C27H35FN4O2/c1-3-34-24-13-11-22(12-14-24)29-27(30-26(33)21-10-9-20(2)25(28)19-21)32-17-15-31(16-18-32)23-7-5-4-6-8-23/h9-14,19,23H,3-8,15-18H2,1-2H3,(H,29,30,33)

InChI Key

TUBXDPQQELQSGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-5.26

Polar Surface Area

44.360

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

F077-2288 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 F077-2288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F077-2288?
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What is the minimum amount of F077-2288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F077-2288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F077-2288
  • 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 F077-2288 available by request