F077-1010 Screening compound: N-[(Z)-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}[(2-methoxyphenyl)imino]methyl]-3-methylbenzamide

F077-1010 Screening compound: N-[(Z)-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}[(2-methoxyphenyl)imino]methyl]-3-methylbenzamide
F077-1010 Screening compound: N-[(Z)-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}[(2-methoxyphenyl)imino]methyl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F077-1010
N-[(Z)-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}[(2-methoxyphenyl)imino]methyl]-3-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

F077-1010

Molecular Formula

C27H29FN4O2 (C27 H29 FN4 O2)

Compound Name

N-[(Z)-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}[(2-methoxyphenyl)imino]methyl]-3-methylbenzamide

IUPAC name

N-[(Z)-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}[(2-methoxyphenyl)imino]methyl]-3-methylbenzamide

SMILES

Cc1cccc(C(N/C(/N2CCN(Cc3cccc(F)c3)CC2)=N/c(cccc2)c2OC)=O)c1

InChI

InChI=1S/C27H29FN4O2/c1-20-7-5-9-22(17-20)26(33)30-27(29-24-11-3-4-12-25(24)34-2)32-15-13-31(14-16-32)19-21-8-6-10-23(28)18-21/h3-12,17-18H,13-16,19H2,1-2H3,(H,29,30,33)

InChI Key

MUJKSXPWXLTCCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

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

4.462

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.27

Polar Surface Area

44.616

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

F077-1010 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 F077-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F077-1010?
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What is the minimum amount of F077-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F077-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F077-1010
  • 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 F077-1010 available by request