F594-0712 Screening compound: 4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-0712 Screening compound: 4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-0712 Screening compound: 4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0712
4-chloro-N-(2-methylpropyl)-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

F594-0712

Molecular Formula

C18H26ClN3O2 (C18 H26 ClN3 O2)

Compound Name

4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

CC(C)CN(CCC(N1CCNCC1)=O)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H26ClN3O2/c1-14(2)13-22(18(24)15-3-5-16(19)6-4-15)10-7-17(23)21-11-8-20-9-12-21/h3-6,14,20H,7-13H2,1-2H3

InChI Key

OWVBBCBIJKIHNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178218

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

351.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.595

Distribution Coefficient, logD

0.768

Water Solubility, LogSw

-2.79

Polar Surface Area

44.781

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

F594-0712 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F594-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0712?
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What is the minimum amount of F594-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0712
  • 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 F594-0712 available by request