4369-0020 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

4369-0020 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate
4369-0020 Screening compound: 2-(4-ethylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4369-0020
2-(4-ethylphenyl)-2-oxoethyl 2-[(4-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

4369-0020

Molecular Formula

C28H25BrN2O4 (C28 H25 BrN2 O4)

Compound Name

2-(4-ethylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

2-(4-ethylphenyl)-2-oxoethyl 2-[(4-bromophenyl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

CCc(cc1)ccc1C(COC(C(Cc1c[nH]c2c1cccc2)NC(c(cc1)ccc1Br)=O)=O)=O

InChI

InChI=1S/C28H25BrN2O4/c1-2-18-7-9-19(10-8-18)26(32)17-35-28(34)25(31-27(33)20-11-13-22(29)14-12-20)15-21-16-30-24-6-4-3-5-23(21)24/h3-14,16,25,30H,2,15,17H2,1H3,(H,31,33)/t25-/m0/s1

InChI Key

CJKNRUSLZUHMON-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06663589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.677

Distribution Coefficient, logD

5.677

Water Solubility, LogSw

-5.87

Polar Surface Area

68.258

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

4369-0020 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4369-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4369-0020?
Check Price and Availability of 4369-0020, 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 4369-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4369-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4369-0020
  • 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 4369-0020 available by request