F036-0530 Screening compound: N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-ethylbutanamide

F036-0530 Screening compound: N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-ethylbutanamide
F036-0530 Screening compound: N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0530
N-[(E)-N'-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-ethylbutanamide

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

F036-0530

Molecular Formula

C25H32N4O2 (C25 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(N/C(/NCCc1c[nH]c2c1cccc2)=N/c(cc1)ccc1OCC)=O

InChI

InChI=1S/C25H32N4O2/c1-4-18(5-2)24(30)29-25(28-20-11-13-21(14-12-20)31-6-3)26-16-15-19-17-27-23-10-8-7-9-22(19)23/h7-14,17-18,27H,4-6,15-16H2,1-3H3,(H2,26,28,29,30)

InChI Key

NHMXDAMPUKKREI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-4.54

Polar Surface Area

58.959

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F036-0530 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F036-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0530?
Check Price and Availability of F036-0530, 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 F036-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0530
  • 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 F036-0530 available by request