F090-2843 Screening compound: ethyl 5,6-dimethoxy-3-(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamido)-1H-indole-2-carboxylate

F090-2843 Screening compound: ethyl 5,6-dimethoxy-3-(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamido)-1H-indole-2-carboxylate
F090-2843 Screening compound: ethyl 5,6-dimethoxy-3-(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamido)-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F090-2843
ethyl 5,6-dimethoxy-3-(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamido)-1H-indole-2-carboxylate

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

F090-2843

Molecular Formula

C29H36N4O5 (C29 H36 N4 O5)

Compound Name

ethyl 5,6-dimethoxy-3-(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamido)-1H-indole-2-carboxylate

IUPAC name

ethyl 56-dimethoxy-3-(3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propanamido)-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c(cc1OC)c2cc1OC)c2NC(CCN1CCN(C/C=C/c2ccccc2)CC1)=O)=O

InChI

InChI=1S/C29H36N4O5/c1-4-38-29(35)28-27(22-19-24(36-2)25(37-3)20-23(22)30-28)31-26(34)12-14-33-17-15-32(16-18-33)13-8-11-21-9-6-5-7-10-21/h5-11,19-20,30H,4,12-18H2,1-3H3,(H,31,34)

InChI Key

WVUBTXWIRDWAII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03684318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.754

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-3.08

Polar Surface Area

75.356

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

F090-2843 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with F090-2843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F090-2843?
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What is the minimum amount of F090-2843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F090-2843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F090-2843
  • 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 F090-2843 available by request