1682-7686 Screening compound: ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoate

1682-7686 Screening compound: ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoate
1682-7686 Screening compound: ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-7686
ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-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

1682-7686

Molecular Formula

C23H25ClN2O4 (C23 H25 ClN2 O4)

Compound Name

ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

ethyl 2-[2-(4-chloro-35-dimethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoate

SMILES

CCOC(C(Cc1c[nH]c2c1cccc2)NC(COc(cc1C)cc(C)c1Cl)=O)=O

InChI

InChI=1S/C23H25ClN2O4/c1-4-29-23(28)20(11-16-12-25-19-8-6-5-7-18(16)19)26-21(27)13-30-17-9-14(2)22(24)15(3)10-17/h5-10,12,20,25H,4,11,13H2,1-3H3,(H,26,27)/t20-/m0/s1

InChI Key

LQLQTORELHGXMX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00709681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.871

Water Solubility, LogSw

-5.02

Polar Surface Area

62.192

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

1682-7686 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1682-7686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-7686?
Check Price and Availability of 1682-7686, 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 1682-7686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-7686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-7686
  • 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 1682-7686 available by request