1682-3522 Screening compound: methyl 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoate

1682-3522 Screening compound: methyl 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoate
1682-3522 Screening compound: methyl 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-3522
methyl 3-(1H-indol-3-yl)-2-(2-methylpropanamido)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

1682-3522

Molecular Formula

C16H20N2O3 (C16 H20 N2 O3)

Compound Name

methyl 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoate

IUPAC name

methyl 3-(1H-indol-3-yl)-2-(2-methylpropanamido)propanoate

SMILES

CC(C)C(NC(Cc1c[nH]c2c1cccc2)C(OC)=O)=O

InChI

InChI=1S/C16H20N2O3/c1-10(2)15(19)18-14(16(20)21-3)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,14,17H,8H2,1-3H3,(H,18,19)/t14-/m0/s1

InChI Key

VXJYRQSJXIXJTC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00226085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.62

Polar Surface Area

55.598

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

1682-3522 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Proteases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1682-3522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3522?
Check Price and Availability of 1682-3522, 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 1682-3522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3522
  • 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 1682-3522 available by request