5408-0654 Screening compound: 2-methylpropyl N-(1-{N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}-2-(1H-indol-3-yl)ethyl)carbamate

5408-0654 Screening compound: 2-methylpropyl N-(1-{N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}-2-(1H-indol-3-yl)ethyl)carbamate
5408-0654 Screening compound: 2-methylpropyl N-(1-{N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}-2-(1H-indol-3-yl)ethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0654
2-methylpropyl N-(1-{N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}-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

5408-0654

Molecular Formula

C25H31N5O3 (C25 H31 N5 O3)

Compound Name

2-methylpropyl N-(1-{N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}-2-(1H-indol-3-yl)ethyl)carbamate

IUPAC name

2-methylpropyl N-(1-{N'-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazinecarbonyl}-2-(1H-indol-3-yl)ethyl)carbamate

SMILES

CC(C)COC(NC(Cc1c[nH]c2c1cccc2)C(N/N=C/c(cc1)ccc1N(C)C)=O)=O

InChI

InChI=1S/C25H31N5O3/c1-17(2)16-33-25(32)28-23(13-19-15-26-22-8-6-5-7-21(19)22)24(31)29-27-14-18-9-11-20(12-10-18)30(3)4/h5-12,14-15,17,23,26H,13,16H2,1-4H3,(H,28,32)(H,29,31)/t23-/m0/s1

InChI Key

AKOSBCPYYZYJBZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03448889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.909

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.71

Polar Surface Area

81.002

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

5408-0654 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 5408-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0654?
Check Price and Availability of 5408-0654, 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 5408-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0654
  • 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 5408-0654 available by request