4729-0978 Screening compound: (2E)-3-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)prop-2-enamide

4729-0978 Screening compound: (2E)-3-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)prop-2-enamide
4729-0978 Screening compound: (2E)-3-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4729-0978
(2E)-3-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(phenylformamido)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

4729-0978

Molecular Formula

C24H21N3O3 (C24 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C\c1ccco1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C24H21N3O3/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

FXMNJLJFOROMGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02175840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

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

3.377

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.49

Polar Surface Area

64.037

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4729-0978 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4729-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4729-0978?
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What is the minimum amount of 4729-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4729-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4729-0978
  • 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 4729-0978 available by request