F594-0133 Screening compound: 3-chloro-N-cyclopentyl-4-fluoro-N-(3-oxo-3-piperazinopropyl)benzamide

F594-0133 Screening compound: 3-chloro-N-cyclopentyl-4-fluoro-N-(3-oxo-3-piperazinopropyl)benzamide
F594-0133 Screening compound: 3-chloro-N-cyclopentyl-4-fluoro-N-(3-oxo-3-piperazinopropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0133
3-chloro-N-cyclopentyl-4-fluoro-N-(3-oxo-3-piperazinopropyl)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

F594-0133

Molecular Formula

C19H25ClFN3O2 (C19 H25 ClFN3 O2)

Compound Name

3-chloro-N-cyclopentyl-4-fluoro-N-(3-oxo-3-piperazinopropyl)benzamide

IUPAC name

3-chloro-N-cyclopentyl-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

O=C(CCN(C1CCCC1)C(c(cc1)cc(Cl)c1F)=O)N1CCNCC1

InChI

InChI=1S/C19H25ClFN3O2/c20-16-13-14(5-6-17(16)21)19(26)24(15-3-1-2-4-15)10-7-18(25)23-11-8-22-9-12-23/h5-6,13,15,22H,1-4,7-12H2

InChI Key

LSMTXFUHLVCLEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177883

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

381.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.838

Distribution Coefficient, logD

1.010

Water Solubility, LogSw

-2.87

Polar Surface Area

44.120

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

F594-0133 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 F594-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0133?
Check Price and Availability of F594-0133, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F594-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0133
  • 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 F594-0133 available by request