F594-1006 Screening compound: N-[(3-chlorophenyl)methyl]-3-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-1006 Screening compound: N-[(3-chlorophenyl)methyl]-3-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-1006 Screening compound: N-[(3-chlorophenyl)methyl]-3-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-1006
N-[(3-chlorophenyl)methyl]-3-acetamido-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

F594-1006

Molecular Formula

C23H27ClN4O3 (C23 H27 ClN4 O3)

Compound Name

N-[(3-chlorophenyl)methyl]-3-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

N-[(3-chlorophenyl)methyl]-3-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

CC(Nc1cccc(C(N(CCC(N2CCNCC2)=O)Cc2cccc(Cl)c2)=O)c1)=O

InChI

InChI=1S/C23H27ClN4O3/c1-17(29)26-21-7-3-5-19(15-21)23(31)28(16-18-4-2-6-20(24)14-18)11-8-22(30)27-12-9-25-10-13-27/h2-7,14-15,25H,8-13,16H2,1H3,(H,26,29)

InChI Key

IZKXXGSGRQHWBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178341

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

442.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

0.353

Water Solubility, LogSw

-2.58

Polar Surface Area

67.771

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F594-1006 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F594-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-1006?
Check Price and Availability of F594-1006, 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 F594-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-1006
  • 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 F594-1006 available by request