5481-0043 Screening compound: (3Z)-1-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-fluorophenyl)imino]-2,3-dihydro-1H-indol-2-one

5481-0043 Screening compound: (3Z)-1-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-fluorophenyl)imino]-2,3-dihydro-1H-indol-2-one
5481-0043 Screening compound: (3Z)-1-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-fluorophenyl)imino]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5481-0043
(3Z)-1-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-fluorophenyl)imino]-2,3-dihydro-1H-indol-2-one

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

5481-0043

Molecular Formula

C27H26FN3O (C27 H26 FN3 O)

Compound Name

(3Z)-1-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-fluorophenyl)imino]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-1-[(4-benzylpiperidin-1-yl)methyl]-3-[(2-fluorophenyl)imino]-23-dihydro-1H-indol-2-one

SMILES

O=C1N(CN2CCC(Cc3ccccc3)CC2)c(cccc2)c2/C1=N/c(cccc1)c1F

InChI

InChI=1S/C27H26FN3O/c28-23-11-5-6-12-24(23)29-26-22-10-4-7-13-25(22)31(27(26)32)19-30-16-14-21(15-17-30)18-20-8-2-1-3-9-20/h1-13,21H,14-19H2

InChI Key

XANBXDZWZISNGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.408

Distribution Coefficient, logD

5.237

Water Solubility, LogSw

-5.79

Polar Surface Area

26.899

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 5481-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5481-0043?
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What is the minimum amount of 5481-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5481-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5481-0043
  • 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 5481-0043 available by request