4729-1624 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamide

4729-1624 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamide
4729-1624 Screening compound: (2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4729-1624
(2Z)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)-3-(thiophen-2-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

4729-1624

Molecular Formula

C24H21N3O2S (C24 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C/c1cccs1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C24H21N3O2S/c28-23(17-7-2-1-3-8-17)27-22(15-19-9-6-14-30-19)24(29)25-13-12-18-16-26-21-11-5-4-10-20(18)21/h1-11,14-16,26H,12-13H2,(H,25,29)(H,27,28)

InChI Key

YMFIPTLTCNOALR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03713895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-4.19

Polar Surface Area

57.307

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4729-1624 in Drug Discovery

Included in Screening Libraries

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

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 4729-1624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4729-1624?
Check Price and Availability of 4729-1624, 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 4729-1624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4729-1624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4729-1624
  • 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 4729-1624 available by request