F594-0666 Screening compound: 3,4-difluoro-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-0666 Screening compound: 3,4-difluoro-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-0666 Screening compound: 3,4-difluoro-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0666
3,4-difluoro-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]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

F594-0666

Molecular Formula

C18H25F2N3O3 (C18 H25 F2 N3 O3)

Compound Name

3,4-difluoro-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

34-difluoro-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

COCCCN(CCC(N1CCNCC1)=O)C(c(cc1)cc(F)c1F)=O

InChI

InChI=1S/C18H25F2N3O3/c1-26-12-2-8-23(9-5-17(24)22-10-6-21-7-11-22)18(25)14-3-4-15(19)16(20)13-14/h3-4,13,21H,2,5-12H2,1H3

InChI Key

JLCVQYJMHSOTKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178180

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

369.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.248

Distribution Coefficient, logD

-0.580

Water Solubility, LogSw

-1.73

Polar Surface Area

53.102

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

F594-0666 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F594-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0666?
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What is the minimum amount of F594-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0666
  • 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 F594-0666 available by request