F036-0742 Screening compound: 3,4-diethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide

F036-0742 Screening compound: 3,4-diethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
F036-0742 Screening compound: 3,4-diethoxy-N-[(E)-N'-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-0742
3,4-diethoxy-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

F036-0742

Molecular Formula

C28H29FN4O3 (C28 H29 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(C(N/C(/NCCc1c[nH]c2c1cccc2)=N/c(cc1)ccc1F)=O)c1)c1OCC

InChI

InChI=1S/C28H29FN4O3/c1-3-35-25-14-9-19(17-26(25)36-4-2)27(34)33-28(32-22-12-10-21(29)11-13-22)30-16-15-20-18-31-24-8-6-5-7-23(20)24/h5-14,17-18,31H,3-4,15-16H2,1-2H3,(H2,30,32,33,34)

InChI Key

XVVKIRBIKCTATR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.25

Polar Surface Area

65.984

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

F036-0742 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 F036-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-0742?
Check Price and Availability of F036-0742, 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 F036-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-0742
  • 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 F036-0742 available by request