1683-6336 Screening compound: ethyl 2-[2-(4-bromophenoxy)acetamido]-3-(1H-indol-3-yl)propanoate

1683-6336 Screening compound: ethyl 2-[2-(4-bromophenoxy)acetamido]-3-(1H-indol-3-yl)propanoate
1683-6336 Screening compound: ethyl 2-[2-(4-bromophenoxy)acetamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6336
ethyl 2-[2-(4-bromophenoxy)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

1683-6336

Molecular Formula

C21H21BrN2O4 (C21 H21 BrN2 O4)

Compound Name

ethyl 2-[2-(4-bromophenoxy)acetamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

ethyl 2-[2-(4-bromophenoxy)acetamido]-3-(1H-indol-3-yl)propanoate

SMILES

CCOC(C(Cc1c[nH]c2c1cccc2)NC(COc(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C21H21BrN2O4/c1-2-27-21(26)19(11-14-12-23-18-6-4-3-5-17(14)18)24-20(25)13-28-16-9-7-15(22)8-10-16/h3-10,12,19,23H,2,11,13H2,1H3,(H,24,25)/t19-/m0/s1

InChI Key

QXXNZCQTGAOJIR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00709679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.31

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

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.07

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

23.80

1683-6336 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 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
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1683-6336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6336?
Check Price and Availability of 1683-6336, 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 1683-6336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6336
  • 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 1683-6336 available by request