F438-0299 Screening compound: 3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-indole

F438-0299 Screening compound: 3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-indole
F438-0299 Screening compound: 3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F438-0299
3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-indole

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

F438-0299

Molecular Formula

C21H22BrN3O (C21 H22 BrN3 O)

Compound Name

3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-indole

IUPAC name

3-{[4-(2-bromobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-indole

SMILES

Cn1c(cccc2)c2c(CN(CC2)CCN2C(c(cccc2)c2Br)=O)c1

InChI

InChI=1S/C21H22BrN3O/c1-23-14-16(17-6-3-5-9-20(17)23)15-24-10-12-25(13-11-24)21(26)18-7-2-4-8-19(18)22/h2-9,14H,10-13,15H2,1H3

InChI Key

XWCLYSQFHJLZIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-3.20

Polar Surface Area

22.987

Acid Dissociation Constant (pKa)

28.30

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F438-0299 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with F438-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F438-0299?
Check Price and Availability of F438-0299, 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 F438-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F438-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F438-0299
  • 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 F438-0299 available by request