E771-0373 Screening compound: methyl 2-{[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carbonyl]amino}benzoate

E771-0373 Screening compound: methyl 2-{[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carbonyl]amino}benzoate
E771-0373 Screening compound: methyl 2-{[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E771-0373
methyl 2-{[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

E771-0373

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

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

IUPAC name

methyl 2-{[4-(1H-indol-3-yl)-1236-tetrahydropyridine-1-carbonyl]amino}benzoate

SMILES

COC(c(cccc1)c1NC(N(CC1)CC=C1c1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C22H21N3O3/c1-28-21(26)17-7-3-5-9-20(17)24-22(27)25-12-10-15(11-13-25)18-14-23-19-8-4-2-6-16(18)19/h2-10,14,23H,11-13H2,1H3,(H,24,27)

InChI Key

BPVYPWZGWACTQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.21

Polar Surface Area

55.783

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E771-0373 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E771-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E771-0373?
Check Price and Availability of E771-0373, 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 E771-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E771-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E771-0373
  • 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 E771-0373 available by request