5408-0618 Screening compound: tert-butyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamate

5408-0618 Screening compound: tert-butyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamate
5408-0618 Screening compound: tert-butyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0618
tert-butyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamate

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

5408-0618

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

tert-butyl N-{1-[(2,4-dimethylphenyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamate

IUPAC name

tert-butyl N-{1-[(24-dimethylphenyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamate

SMILES

CC(C)(C)OC(NC(Cc1c[nH]c2c1cccc2)C(Nc1c(C)cc(C)cc1)=O)=O

InChI

InChI=1S/C24H29N3O3/c1-15-10-11-19(16(2)12-15)26-22(28)21(27-23(29)30-24(3,4)5)13-17-14-25-20-9-7-6-8-18(17)20/h6-12,14,21,25H,13H2,1-5H3,(H,26,28)(H,27,29)/t21-/m0/s1

InChI Key

GTIOUZABPXGMKF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01080513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.849

Distribution Coefficient, logD

5.849

Water Solubility, LogSw

-5.73

Polar Surface Area

64.008

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5408-0618 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5408-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0618?
Check Price and Availability of 5408-0618, 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 5408-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0618
  • 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 5408-0618 available by request