F036-2094 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

F036-2094 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide
F036-2094 Screening compound: N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F036-2094
N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

F036-2094

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

N-[(E)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

IUPAC name

N-[(E)-N'-(23-dihydro-14-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(N/C(/NCCc1c[nH]c2c1cccc2)=N/c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C27H26N4O4/c1-33-21-9-6-18(7-10-21)26(32)31-27(30-20-8-11-24-25(16-20)35-15-14-34-24)28-13-12-19-17-29-23-5-3-2-4-22(19)23/h2-11,16-17,29H,12-15H2,1H3,(H2,28,30,31,32)

InChI Key

GQPMJUIUEYGNSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-4.18

Polar Surface Area

74.931

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F036-2094 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 F036-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F036-2094?
Check Price and Availability of F036-2094, 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 F036-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F036-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F036-2094
  • 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 F036-2094 available by request