E770-0066 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]-4-oxobutanamide

E770-0066 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]-4-oxobutanamide
E770-0066 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E770-0066
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]-4-oxobutanamide

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

E770-0066

Molecular Formula

C25H25N3O4 (C25 H25 N3 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]-4-oxobutanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[4-(1H-indol-3-yl)-1236-tetrahydropyridin-1-yl]-4-oxobutanamide

SMILES

O=C(CCC(N(CC1)CC=C1c1c[nH]c2c1cccc2)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H25N3O4/c29-24(27-14-17-5-6-22-23(13-17)32-16-31-22)7-8-25(30)28-11-9-18(10-12-28)20-15-26-21-4-2-1-3-19(20)21/h1-6,9,13,15,26H,7-8,10-12,14,16H2,(H,27,29)

InChI Key

OZTJPQAAAULKOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

3.060

Water Solubility, LogSw

-3.27

Polar Surface Area

67.546

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E770-0066 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 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 E770-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E770-0066?
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What is the minimum amount of E770-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E770-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E770-0066
  • 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 E770-0066 available by request