5408-0644 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanoate

5408-0644 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanoate
5408-0644 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0644
2-(4-chlorophenyl)-2-oxoethyl 3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]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

5408-0644

Molecular Formula

C26H21ClN2O5 (C26 H21 ClN2 O5)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 3-(1H-indol-3-yl)-2-[(phenoxycarbonyl)amino]propanoate

SMILES

O=C(COC(C(Cc1c[nH]c2c1cccc2)NC(Oc1ccccc1)=O)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C26H21ClN2O5/c27-19-12-10-17(11-13-19)24(30)16-33-25(31)23(29-26(32)34-20-6-2-1-3-7-20)14-18-15-28-22-9-5-4-8-21(18)22/h1-13,15,23,28H,14,16H2,(H,29,32)/t23-/m0/s1

InChI Key

RYRBUBQPJDORPI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14710519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-6.10

Polar Surface Area

76.234

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

5408-0644 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 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
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5408-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0644?
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What is the minimum amount of 5408-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0644
  • 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 5408-0644 available by request