4295-0646 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(pyridin-3-yl)prop-2-enamide

4295-0646 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(pyridin-3-yl)prop-2-enamide
4295-0646 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(pyridin-3-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4295-0646
(2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(pyridin-3-yl)prop-2-enamide

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

4295-0646

Molecular Formula

C25H22N4O2 (C25 H22 N4 O2)

Compound Name

(2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(pyridin-3-yl)prop-2-enamide

IUPAC name

(2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(pyridin-3-yl)prop-2-enamide

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C/c1cnccc1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C25H22N4O2/c30-24(19-8-2-1-3-9-19)29-23(15-18-7-6-13-26-16-18)25(31)27-14-12-20-17-28-22-11-5-4-10-21(20)22/h1-11,13,15-17,28H,12,14H2,(H,27,31)(H,29,30)

InChI Key

XKFBAVXTAHGVMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

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

2.968

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-3.13

Polar Surface Area

65.806

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

4295-0646 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4295-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4295-0646?
Check Price and Availability of 4295-0646, 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 4295-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4295-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4295-0646
  • 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 4295-0646 available by request