1682-3610 Screening compound: methyl 3-(1H-indol-3-yl)-2-[2-(3-methylphenoxy)acetamido]propanoate

1682-3610 Screening compound: methyl 3-(1H-indol-3-yl)-2-[2-(3-methylphenoxy)acetamido]propanoate
1682-3610 Screening compound: methyl 3-(1H-indol-3-yl)-2-[2-(3-methylphenoxy)acetamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-3610
methyl 3-(1H-indol-3-yl)-2-[2-(3-methylphenoxy)acetamido]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

1682-3610

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

methyl 3-(1H-indol-3-yl)-2-[2-(3-methylphenoxy)acetamido]propanoate

IUPAC name

methyl 3-(1H-indol-3-yl)-2-[2-(3-methylphenoxy)acetamido]propanoate

SMILES

Cc1cccc(OCC(NC(Cc2c[nH]c3c2cccc3)C(OC)=O)=O)c1

InChI

InChI=1S/C21H22N2O4/c1-14-6-5-7-16(10-14)27-13-20(24)23-19(21(25)26-2)11-15-12-22-18-9-4-3-8-17(15)18/h3-10,12,19,22H,11,13H2,1-2H3,(H,23,24)/t19-/m0/s1

InChI Key

XECPEWZDHQTIJY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00226089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.30

Polar Surface Area

62.612

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

1682-3610 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1682-3610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3610?
Check Price and Availability of 1682-3610, 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 1682-3610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3610
  • 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 1682-3610 available by request