F438-0356 Screening compound: 6-chloro-4-(2-{4-[(1-methyl-1H-indol-3-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

F438-0356 Screening compound: 6-chloro-4-(2-{4-[(1-methyl-1H-indol-3-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
F438-0356 Screening compound: 6-chloro-4-(2-{4-[(1-methyl-1H-indol-3-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F438-0356
6-chloro-4-(2-{4-[(1-methyl-1H-indol-3-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

F438-0356

Molecular Formula

C24H25ClN4O3 (C24 H25 ClN4 O3)

Compound Name

6-chloro-4-(2-{4-[(1-methyl-1H-indol-3-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-chloro-4-(2-{4-[(1-methyl-1H-indol-3-yl)methyl]piperazin-1-yl}-2-oxoethyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cn1c(cccc2)c2c(CN(CC2)CCN2C(CN2c(cc(cc3)Cl)c3OCC2=O)=O)c1

InChI

InChI=1S/C24H25ClN4O3/c1-26-13-17(19-4-2-3-5-20(19)26)14-27-8-10-28(11-9-27)23(30)15-29-21-12-18(25)6-7-22(21)32-16-24(29)31/h2-7,12-13H,8-11,14-16H2,1H3

InChI Key

MRKYCMBPLHKNBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

1.244

Water Solubility, LogSw

-3.02

Polar Surface Area

46.561

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F438-0356 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F438-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F438-0356?
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What is the minimum amount of F438-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F438-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F438-0356
  • 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 F438-0356 available by request