F594-1042 Screening compound: N-[(4-bromophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-1042 Screening compound: N-[(4-bromophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-1042 Screening compound: N-[(4-bromophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-1042
N-[(4-bromophenyl)methyl]-3-methoxy-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

F594-1042

Molecular Formula

C22H26BrN3O3 (C22 H26 BrN3 O3)

Compound Name

N-[(4-bromophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

N-[(4-bromophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

COc1cccc(C(N(CCC(N2CCNCC2)=O)Cc(cc2)ccc2Br)=O)c1

InChI

InChI=1S/C22H26BrN3O3/c1-29-20-4-2-3-18(15-20)22(28)26(16-17-5-7-19(23)8-6-17)12-9-21(27)25-13-10-24-11-14-25/h2-8,15,24H,9-14,16H2,1H3

InChI Key

CDKBALIKZUWGBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178369

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

460.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.092

Water Solubility, LogSw

-2.69

Polar Surface Area

52.053

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F594-1042 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 F594-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-1042?
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What is the minimum amount of F594-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-1042
  • 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 F594-1042 available by request