E771-0395 Screening compound: ethyl 4-{[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carbonyl]amino}benzoate

E771-0395 Screening compound: ethyl 4-{[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carbonyl]amino}benzoate
E771-0395 Screening compound: ethyl 4-{[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E771-0395
ethyl 4-{[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carbonyl]amino}benzoate

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

E771-0395

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

ethyl 4-{[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carbonyl]amino}benzoate

IUPAC name

ethyl 4-{[4-(1H-indol-3-yl)-1236-tetrahydropyridine-1-carbonyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)CC=C1c1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C23H23N3O3/c1-2-29-22(27)17-7-9-18(10-8-17)25-23(28)26-13-11-16(12-14-26)20-15-24-21-6-4-3-5-19(20)21/h3-11,15,24H,2,12-14H2,1H3,(H,25,28)

InChI Key

SOPQINDENSOMRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.64

Polar Surface Area

56.060

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E771-0395 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E771-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E771-0395?
Check Price and Availability of E771-0395, 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 E771-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E771-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E771-0395
  • 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 E771-0395 available by request