F036-0621 Screening compound: 4-ethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

F036-0621 Screening compound: 4-ethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
F036-0621 Screening compound: 4-ethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0621
4-ethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

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

F036-0621

Molecular Formula

C26H25FN4O2 (C26 H25 FN4 O2)

Compound Name

4-ethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

IUPAC name

4-ethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

SMILES

CCOc(cc1)ccc1C(N/C(/NCCc1c[nH]c2c1cccc2)=N/c(cc1)ccc1F)=O

InChI

InChI=1S/C26H25FN4O2/c1-2-33-22-13-7-18(8-14-22)25(32)31-26(30-21-11-9-20(27)10-12-21)28-16-15-19-17-29-24-6-4-3-5-23(19)24/h3-14,17,29H,2,15-16H2,1H3,(H2,28,30,31,32)

InChI Key

YUEGGYKFJSDUPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

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

4.827

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.57

Polar Surface Area

58.687

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F036-0621 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 F036-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0621?
Check Price and Availability of F036-0621, 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 F036-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0621
  • 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 F036-0621 available by request