7172-0946 Screening compound: ethyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

7172-0946 Screening compound: ethyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate
7172-0946 Screening compound: ethyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7172-0946
ethyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

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

7172-0946

Molecular Formula

C20H19BrN2O3 (C20 H19 BrN2 O3)

Compound Name

ethyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

ethyl 2-[(2-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

CCOC(C(Cc1c[nH]c2c1cccc2)NC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C20H19BrN2O3/c1-2-26-20(25)18(23-19(24)15-8-3-5-9-16(15)21)11-13-12-22-17-10-6-4-7-14(13)17/h3-10,12,18,22H,2,11H2,1H3,(H,23,24)/t18-/m0/s1

InChI Key

LXXYBCJAIZYCQG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03786699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.02

Polar Surface Area

54.907

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

7172-0946 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

PLpro Library (6343 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7172-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7172-0946?
Check Price and Availability of 7172-0946, 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 7172-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7172-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7172-0946
  • 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 7172-0946 available by request