F036-0546 Screening compound: N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

F036-0546 Screening compound: N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide
F036-0546 Screening compound: N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0546
N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

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

F036-0546

Molecular Formula

C27H28N4O3 (C27 H28 N4 O3)

Compound Name

N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

IUPAC name

N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

SMILES

CCOc(cc1)ccc1/N=C(\NCCc1c[nH]c2c1cccc2)/NC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C27H28N4O3/c1-3-34-23-14-10-21(11-15-23)30-27(31-26(32)19-8-12-22(33-2)13-9-19)28-17-16-20-18-29-25-7-5-4-6-24(20)25/h4-15,18,29H,3,16-17H2,1-2H3,(H2,28,30,31,32)

InChI Key

WSUHMXBPYOJNBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.54

Polar Surface Area

66.231

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with F036-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0546?
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What is the minimum amount of F036-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0546
  • 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 F036-0546 available by request