E770-0222 Screening compound: N-[(3-fluorophenyl)methyl]-4-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]-4-oxobutanamide

E770-0222 Screening compound: N-[(3-fluorophenyl)methyl]-4-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]-4-oxobutanamide
E770-0222 Screening compound: N-[(3-fluorophenyl)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 E770-0222
N-[(3-fluorophenyl)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

E770-0222

Molecular Formula

C24H24FN3O2 (C24 H24 FN3 O2)

Compound Name

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

IUPAC name

N-[(3-fluorophenyl)methyl]-4-[4-(1H-indol-3-yl)-1236-tetrahydropyridin-1-yl]-4-oxobutanamide

SMILES

O=C(CCC(N(CC1)CC=C1c1c[nH]c2c1cccc2)=O)NCc1cccc(F)c1

InChI

InChI=1S/C24H24FN3O2/c25-19-5-3-4-17(14-19)15-27-23(29)8-9-24(30)28-12-10-18(11-13-28)21-16-26-22-7-2-1-6-20(21)22/h1-7,10,14,16,26H,8-9,11-13,15H2,(H,27,29)

InChI Key

XBVYMNHBQGRLQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.55

Polar Surface Area

50.430

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E770-0222 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

DGK Inhibitors Library (10558 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E770-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E770-0222?
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What is the minimum amount of E770-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E770-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E770-0222
  • 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 E770-0222 available by request