3468-0330 Screening compound: (2E)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N-phenylprop-2-enamide

3468-0330 Screening compound: (2E)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N-phenylprop-2-enamide
3468-0330 Screening compound: (2E)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3468-0330
(2E)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N-phenylprop-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

3468-0330

Molecular Formula

C27H23N3O3 (C27 H23 N3 O3)

Compound Name

(2E)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N-phenylprop-2-enamide

IUPAC name

(2E)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}-N-phenylprop-2-enamide

SMILES

COc(cccc1)c1OCCn1c(cccc2)c2c(/C=C(/C(Nc2ccccc2)=O)\C#N)c1

InChI

InChI=1S/C27H23N3O3/c1-32-25-13-7-8-14-26(25)33-16-15-30-19-21(23-11-5-6-12-24(23)30)17-20(18-28)27(31)29-22-9-3-2-4-10-22/h2-14,17,19H,15-16H2,1H3,(H,29,31)

InChI Key

NYMKXIVFOBDJCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.55

Polar Surface Area

57.231

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3468-0330 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3468-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3468-0330?
Check Price and Availability of 3468-0330, 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 3468-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3468-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3468-0330
  • 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 3468-0330 available by request