F033-1616 Screening compound: N-[(2,5-difluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

F033-1616 Screening compound: N-[(2,5-difluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
F033-1616 Screening compound: N-[(2,5-difluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F033-1616
N-[(2,5-difluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

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

F033-1616

Molecular Formula

C21H22F2N2O2 (C21 H22 F2 N2 O2)

Compound Name

N-[(2,5-difluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

IUPAC name

N-[(25-difluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-1236-tetrahydropyridine-4-carboxamide

SMILES

COc1cccc(CN(CC2)CC=C2C(NCc(cc(cc2)F)c2F)=O)c1

InChI

InChI=1S/C21H22F2N2O2/c1-27-19-4-2-3-15(11-19)14-25-9-7-16(8-10-25)21(26)24-13-17-12-18(22)5-6-20(17)23/h2-7,11-12H,8-10,13-14H2,1H3,(H,24,26)

InChI Key

WHCJBKTWZXKSCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

-0.601

Water Solubility, LogSw

-4.07

Polar Surface Area

35.928

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

9.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F033-1616 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F033-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F033-1616?
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What is the minimum amount of F033-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F033-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F033-1616
  • 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 F033-1616 available by request