F036-0552 Screening compound: N-[(E)-N'-(3-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

F036-0552 Screening compound: N-[(E)-N'-(3-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide
F036-0552 Screening compound: N-[(E)-N'-(3-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0552
N-[(E)-N'-(3-ethylphenyl)-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

F036-0552

Molecular Formula

C27H28N4O2 (C27 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(/N=C(\NCCc2c[nH]c3c2cccc3)/NC(c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C27H28N4O2/c1-3-19-7-6-8-22(17-19)30-27(31-26(32)20-11-13-23(33-2)14-12-20)28-16-15-21-18-29-25-10-5-4-9-24(21)25/h4-14,17-18,29H,3,15-16H2,1-2H3,(H2,28,30,31,32)

InChI Key

NKNCACWAWHREOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.73

Polar Surface Area

59.107

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F036-0552 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F036-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0552?
Check Price and Availability of F036-0552, 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 F036-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0552
  • 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 F036-0552 available by request